Tag: M.W=150-200

Ziaee, Mehdi published the artcileInvestigation on aggregation behavior of 1-octyl-3-methylimidazolium bromide in water and in CuO-water nanofluids by measuring electrical conductivity and surface tension, SDS of cas: 111-83-1, the publication is Journal of the Iranian Chemical Society (2022), 19(5), 2053-2065, database is CAplus.

The physicochem. properties of aqueous ternary ionic liquid (IL) and nanoparticle systems are affected by the various intermol. interactions such as van der Waals, electrostatic and structural. Recently these systems have been considered both to increase the stability of nanofluids and to change the surface activity of the surface active ILs. A systematic exptl. study was conducted on aqueous solutions containing a surface active ionic liquid, 1-octyl-3-methylimidazolium bromide ([C8mim][Br]), in pure water and in CuO-water nanofluids to a better understanding of the aggregation behavior occurring in these systems. The elec. conductivity (κ) data were obtained for [C₈mim][Br] + water and [C8mim][Br] + CuO-water nanofluid (with 0.00066 wt%, 0.005 wt% and 0.01 wt% of CuO NPs) systems at 288.15, 293.15, 298.15 and 303.15 K. For these systems, surface tension (γ) measurements were taken at 298.15 K. The accurate anal. of the obtained data showed that the critical micelle concentration (cmc) for [C8mim][Br] in aqueous solution is increased with addition of CuO NPs to pure water, as well as with increasing concentration of CuO NPs in water-based fluid. The values of Gibbs energy, ΔG°mic, enthalpy, ΔH°mic, and entropy, ΔS°mic, of micellization were determined from the specific elec. conductivity data. The values of ΔG°mic were neg. and magnitude of ΔG°mic (kJ·mol-1) followed the order: 288.15 K (- 21.95) < 293.15 K (- 22.86) < 298.15 K (- 23.62) < 303.15 K (- 24.16). At the lower temperatures, the micellization of [C8mim][Br] in aqueous solutions is entropically driven process (ΔH°mic > 0) and with a temperature raise, this process becomes enthalpically driven process (ΔH°mic < 0). The presence of CuO NPs in aqueous medium reduces the surface activity of [C8mim][Br], so that, the cmc value is shifted to the higher concentrations of [C₈mim][Br]. Although the surface tension of the CuO-nanofluid is almost same as that of pure water, the interaction between [C8mim][Br] and CuO NPs surface leads to increasing of γ compared to the binary aqueous IL solutions This phenomenon revealed a decrease in some surface tension parameters like maximum surface excess concentration, Γ_max, adsorption efficiency, pC20, surface pressure at the saturated air/liquid interface, πcmc, and increase in the another parameters such as cmc, surface tension at the micellization, γcmc, and min. area per IL mol. at the surface, Amin, resp.

Journal of the Iranian Chemical Society published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C16H24BF4Ir, SDS of cas: 111-83-1.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Park, Soyoon published the artcileAsymmetric dithieno[3,2-b:2′,3′-d]thiophene derivatives as solution-processable small molecular organic semiconductors for organic thin film transistors, Related Products of bromides-buliding-blocks, the publication is Thin Solid Films (2022), 139112, database is CAplus.

In this paper, solution-processable asym. dithieno[3,2-d:2′,3′-d]thiophene (DTT) compounds, 2-octyldithieno[3,2-b:2′,3′-d]thiophene (1), 2-octyl-6-(thiophen-2-yl)dithieno[3,2-b:2′,3′-d]thiophene (2), 2-octyl-6-(5-octylthiophen-2-yl)dithieno[3,2-b:2′,3′-d]thiophene (3), and 2-(5-(2-ethylhexyl)thiophen-2-yl)-6-octyldithieno[3,2-b:2′,3′-d]thiophene (4) were synthesized and employed as small mol. organic semiconductors for top-contact/bottom-gate organic thin-film transistors. Physicochem. properties of four compounds including decomposition temperature, melting temperature, maximum absorption wavelength, HOMO/lowest occupied MO energy level, and band gap were investigated. All DTT compounds exhibited p-channel activity, and especially compound 2 with addnl. thiophene group and linear alkyl chain (octyl group) showed superior elec. performance with hole mobility up to 0.07 cm²/Vs and current on/off ratio > 10⁸ in ambient environment. Moreover, film microstructure and morphol. showed correlation with the corresponding elec. performance, where high film texture and terrace-like morphol. afforded high device performance.

Thin Solid Films published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Keenan, Thomas published the artcilePhase-Transfer-Catalyzed Alkylation of Hydantoins, HPLC of Formula: 111-83-1, the publication is ACS Organic & Inorganic Au (2022), 2(4), 312-317, database is CAplus.

A highly efficient, cost-effective and environmentally friendly protocol was reported for the synthesis of alkylated hydantoins I [R = allyl, Bn, CH₂C≡CH, etc.; R¹ = H, Me, Bn, etc.; R² = Me, allyl, octyl, Bn, 4-MeOC₆H₄CH₂; R³ = Me, Ph, Bn, etc.; RR¹ = (CH₂)₄; R¹R² = (CH₂)₃] via C5-selective alkylation of hydantoins under phase-transfer catalysis. The reactions were scalable and only required a catalytic amount of tetrabutylammonium bromide (TBAB) to achieve high yields under mild reaction conditions. Moreover, the method was applicable to a wide range of electrophiles, including alkyl-, allyl-, propargyl- and benzyl halides, as well as acrylates and dibromoalkanes, but also to virtually any hydantoin precursor. The potential for an enantioselective adaptation using a chiral phase-transfer catalyst was also highlighted.

ACS Organic & Inorganic Au published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, HPLC of Formula: 111-83-1.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Gao, Yong-Chao published the artcileSulfite-Promoted C-H Fluoroalkyl Sulfuration of Imidazoheterocycles with Bromofluoroacetate and Elemental Sulfur, SDS of cas: 401-55-8, the publication is Synthesis (2020), 52(17), 2541-2550, database is CAplus.

A transition-metal-free sulfite-promoted three-component C-H sulfuration between imidazoheterocycles, elemental sulfur and bromofluoroacetate was developed. Sulfites, including Na₂S₂O₄, NaHSO₃ and Na₂S₂O₃, were able to promote the formation of two C-S bonds in one step using elemental sulfur as a green sulfurating agent, allowing the rapid introduction of the synthetically useful S-fluoroacetate group into imidazoheterocycles. These new imidazoheterocycle derivatives bearing an S-fluoroacetate group can be easily modified to produce pharmaceutically attractive compounds

Synthesis published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C4H6BrFO2, SDS of cas: 401-55-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Berton, Mateo published the artcileOn-demand synthesis of organozinc halides under continuous flow conditions, Application of Ethylbromofluoroacetate, the publication is Nature Protocols (2018), 13(1), 324-334, database is CAplus and MEDLINE.

Organozinc reagents are versatile building blocks for introducing C(sp₂)-C(sp₃) and C(sp₃)-C(sp₃) bonds into organic structures. However, despite their ample synthetic versatility and broad functional group tolerance, the use of organozinc reagents in the laboratory is limited because of their instability, exothermicity and water sensitivity, as well as their labor-intensive preparation Herein, we describe an on-demand synthesis of these useful reagents under continuous flow conditions, overcoming these primary limitations and supporting widespread adoption of these reagents in synthetic organic chem. To exemplify this procedure, a solution of Et zincbromoacetate is prepared by flowing Et bromoacetate through a column containing metallic zinc. The temperature of the column is controlled by a heating jacket and a thermocouple in close contact with it. Advice on how to perform the procedure using alternative equipment is also given to allow a wider access to the methodol. Here we describe the preparation of 50 mL of solution, which takes 1 h 40 min, although up to 250-300 mL can be prepared with the same column setup at a rate of 30 mL per h. The procedure provides the reagent as a clean solution with reproducible concentration Organozinc solutions generated in flow can be coupled to a second flow reactor to perform a Reformatsky reaction or can be collected over a flask containing the required reagents for a batch Negishi reaction.

Nature Protocols published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C4H6BrFO2, Application of Ethylbromofluoroacetate.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

He, Yali published the artcilePyrazol-1-yl-propanamides as SARD and Pan-Antagonists for the Treatment of Enzalutamide-Resistant Prostate Cancer, Related Products of bromides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2020), 63(21), 12642-12665, database is CAplus and MEDLINE.

We report herein the design, synthesis, and pharmacol. characterization of a library of novel aryl pyrazol-1-yl-propanamides as selective androgen receptor degraders (SARDs) and pan-antagonists that exert broad-scope AR antagonism. Pharmacol. evaluation demonstrated that introducing a pyrazole moiety as the B-ring structural element in the common A-ring-linkage-B-ring nonsteroidal antiandrogens’ general pharmacophore allowed the development of a new scaffold of small mols. with unique SARD and pan-antagonist activities even compared to our recently published AF-1 binding SARDs such as UT-155 and UT-34. Novel B-ring pyrazoles exhibited potent AR antagonist activities, including promising distribution, metabolism, and pharmacokinetic properties, and broad-spectrum AR antagonist properties, including potent in vivo antitumor activity. I was able to induce an 80% tumor growth inhibition of xenografts derived from the enzalutamide-resistant (Enz-R) VCaP cell line. These results represent an advancement toward the development of novel AR antagonists for the treatment of Enz-R prostate cancer.

Journal of Medicinal Chemistry published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Murakami, Yukito published the artcileHydrophobic vitamin B₁₂. V. Electrochemical carbon-skeleton rearrangement as catalyzed by hydrophobic vitamin B₁₂. Reaction mechanisms and migratory aptitude of functional groups, SDS of cas: 56970-78-6, the publication is Bulletin of the Chemical Society of Japan (1987), 60(1), 311-24, database is CAplus.

The C-skeleton rearrangements catalyzed by heptamethyl cobyrinate perchlorate (I) were investigated under electrochem. conditions. The controlled-potential electrolysis of 2,2-bis(ethoxycarbonyl)-1-bromopropane, which is considered to be a model substrate for methylmalonyl-CoA mutase, was catalyzed by I in DMF to give 1,2-bis(ethoxycarbonyl)propane as a major product at -1.5 V vs. SCE (standard C electrode)in the presence of acetic acid and at potentials more cathodic than -1.8 V vs. SCE without acetic acid in the dark. The electrochem. C-skeleton rearrangement was postulated to proceed via formation of anionic intermediates. The electrolysis of 1-bromo-2-cyano-2-ethoxycarbonylpropane, 2-acetyl-1-bromo-2-ethoxycarbonylpropane, and 1-bromo-2-[(ethylthio)carbonyl]propane with I also afforded the corresponding skeleton rearrangement products. The results indicated that substrates with 2 electron-withdrawing groups placed on the β-carbon atom with combinations of 1 carboxylic ester and 1 of carboxylic ester, acetyl, or cyano moiety readily gave the corresponding rearrangement products which were derived from individual migration of the substituent groups. Substrates with only 1 of the electron-withdrawing groups, (carboxylic ester, acetyl, or cyano) did not give any rearrangement product, but a substrate with thioester group afforded the corresponding rearrangement product. The migratory aptitude of electron-withdrawing groups decreased in the order: COSR>COR>COOR>CN. Both electronic character and steric bulkiness of the migrating groups are apparently reflected on this tendency, even though relative contributions of these effects are much dependent on the nature of β-substituents.

Bulletin of the Chemical Society of Japan published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, SDS of cas: 56970-78-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Murakami, Yukito published the artcileHydrophobic vitamin B₁₂. XI. Preparation, characterization, and enantioselective alkylation of hydrophobic vitamin B₁₂ bearing a binaphthyl moiety, SDS of cas: 56970-78-6, the publication is Bulletin of the Chemical Society of Japan (1992), 65(11), 3094-102, database is CAplus.

Hydrophobic vitamin B₁₂ derivatives bearing a chiral binaphthyl moiety, hexamethyl 7¹-decarboxy-7¹-[(R)-2′-methoxy-1,1′-binaphthyl-2-carboxymethyl]cobyrinate perchlorate [B₁₂-BINAP(R)] and hexamethyl 7¹-decarboxy-7¹-[(S)-2′-methoxy-1,1′-binaphthyl-2-carboxymethyl]cobyrinate perchlorate [B₁₂-BINAP(S)], were prepared from cyanocobalamin. These complexes were characterized by means of electronic and CD spectroscopy as well as by cyclic voltammetry in comparison with those data for a hydrophobic vitamin B₁₂ without a binaphthyl moiety. The enantioselective alkylation of hydrophobic vitamin B₁₂ derivatives at the β-axial site was examined in methanol with various 3-bromo-2-methylpropionic esters by means of ¹H NMR spectroscopy. B₁₂-BINAP(R), and B₁₂-BINAP(S) bound (S)-2-methylpropionates more favorably than (R)-2-methylpropionates. The cause of such S-enantioselectivity was discussed with attention to stereochem. configurations of the peripheral substituents placed in the corrin ring.

Bulletin of the Chemical Society of Japan published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, SDS of cas: 56970-78-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Tirpak, Michael R. published the artcileReaction of dicobalt octacarbonyl with some acetylenic compounds, COA of Formula: C7H11Br, the publication is Journal of Organic Chemistry (1960), 687-90, database is CAplus.

In a recent investigation (CA 50, 12809i), it was reported that Co₂(CO)₈ reacted with RCCR’ (I) according to the reaction: I + Co₂(CO)₈ → RC₂R’Co₂(CO)₆ + 2CO. In the present study the effect of various groups (R and R’) upon the rate of reaction was determined The relative reactivities of various I were determined from the half-lives of their reactions. The half-lives were obtained from a plot of volume of evolved CO vs. time. The half-life of the reaction with BuCCH (II) was assigned a value of 100 on the relative reactivity scale and the relative reactivity of each of the I was calculated from: relative reactivity = t_1/2 II/t_1/2 I × 100. The average half-life for II was found to be 320 sec. The differences in the relative reactivities were not great; however, CO₂H, CO₂Me, and CH₂OH groups appeared to enhance the reactivity when attached to the triple bonded C. An anomalous behavior of certain propargyl-type halides was found and was attributed to a possible coupling reaction of these halides in the presence of Co₂(CO)₈. The following I (general methods of their preparation were given) were prepared and their relative reactivities determined (R, R’, b.p./mm., n_D/temperature, d₄/temperature, relative reactivity given): Bu, H, 70.5°/atm., 1.3970/24°, 0.7137/26°, 100; Bu, D, 70-4°/atm., 1.3970/23°, 0.722/22°, 105; Pr, Me, 82-8°/760, 1.4127/24°, 0.7401/20°, 60; Et, Et, 79-80°/760, 1.4101/23°, 0.7231/20°, 98; tert-Bu, H, 35-6°/760, 1.3743/21°, 0.6683/20°, 88; Me, Me, 29°/760, 1.3880/27°, 0.6913/20°, 56; CH₂:CMe, H, 32.5°/760, 1.4148/21°, 0.695/25°, 119; HCC(CH₂)₄, H, 32.5-3.5°/55, 1.4454/21°, 0.8195/24°, 81; Ph, H, 44-5°/22, 1.5488/22°, 0.9283/22°, 114; o-tolyl, H, 42-4°/6, 1.5460/21°, 0.9224/24°, 78; m-tolyl, H, 62-4°/18, 1.5427/21°, 0.9073/26°, 110; p-tolyl, H, 61-2°/20, 1.5455/24°, 0.9159/20°, 112; 2,4-Me₂C₆H₃, H, 69-71°/9, 1.5451/25°, 0.930/23°, 88; 2,5-Me₂C₆H₃, H, 49°/2, 1.5412/24°, 0.9180/21°, 88; 3,4-Me₂C₆H₃, H, 59-62°/3, 1.5494/25°, 0.9246/24°, 115; 2,4,6-Me₃C₆H₂, H, 62-3°/2.5, 1.5440/25°, 0.9185/25°, 20; 2,6,4-Me₂(tert-Bu)C₆H₂, H, 88-90°/2, 1.5313/23°, 0.9018/22°, 23; Ph, Ph, 150°/8 (m. 58-60°), -, -, 60; Bu, CO₂H, 116°/7, 1.4607/23, 0.9775/23°, 160; Et, (CH₂)₃CO₂H, 126-7°/8, 1.4543/28° 0.9762/28°, 60; Ph, CO₂H, -(m. 135-7°), -, -, 226; H, CH₂OH, 111-12°/atm., 1.4312/22°, 0.9338/24°, 194; H, CMe₂OH, 103°/atm., 1.4204/24°, 0.8518/28°, 177; Bu, CH₂OH, 77-8°/4, 1.4520/30°, 0.8810/28°, 120; Bu, CHMeOH, 67-9°/8, 1.4468/23°, 0.8747/24°, 123; tert-Bu, CH₂OH, 68-9°/17, 1.4421/24°, 0.8600/23°, 89; Am, CO₂Me, 96°/12, 1.4460/23, 0.9260/22, 152; Et, (CH₂)₃CO₂Me, 85-6°/9, 1.4447/21°, 0.9365/21°, 68; Me, (CH₂)₄CO₂Me, 94°/13, 1.4470/22°, 0.9552/23°, 55; H, (CH₂)₅CO₂Me, 85-6°/10, 1.4403/23°, 0.9428/24°, 92; H, OBu, 40-1°/65, 1.4000/29°, 0.8161/29°, 1; H, CH₂OMe, 60.0-60.5°/760, 1.3948/23°, 0.8410/23°, 177; H, CH₂OCPh₃, -(m. 110.5-11.0°), -, -, 186; H, 2-tetrahydropyranyloxymethyl, 57.5-8.0°/7, 1.4573/21°, 1.0148/21°, 201; H, (CH₂)₅Br, 76.5-7.0°/18, 1.4773/22°, 1.2342/22°, 87; H, (CH₂)₄I, 62-3°/8, 1.5260/28°, 1.5822/26°, 86; H, C₆H₄F-p, -(m. 25-7°), -, -, 92; H, C₆H₄Cl-p, -(m. 43.0-4.5°), -, -, 90; H, C₆H₄Cl-m, 58-60°/9, 1.5630/23°, 1.116/25°, 102; H, C₆H₄Cl-o, 65-6°/12, 1.5694/25°, 1.1249/25°, 102; H, C₆H₄Br-p, -(m. 64.5-6.0°), -, -, 100; H, CH₂Cl, 55.5°/760, 1.4335/22°, 1.0385/23°, 172; H, CH₂Br, 82°/760, 1.4928/22°, 1.5775/22°, 385; H, CMe₂Cl, 74°/760, 1.4160/25°, 0.9085/25°, 178; Bu, CH₂Cl, 56-7°/10, 1.4585/25°, 0.9470/25°, 91; Bu, CH₂Br, 64-5°/8, 1.4910/22°, 1.2427/22°, 315; Bu, CH₂I, 78-9°/7, 1.5387/25°, 1.4914/23°, 476; BrCH₂, CH₂Br, 81-2°/7, 1.5844/30°, 2.0237/29°, 325.

Journal of Organic Chemistry published new progress about 81216-14-0. 81216-14-0 belongs to bromides-buliding-blocks, auxiliary class Linker,PROTAC Linker, name is 7-Bromohept-1-yne, and the molecular formula is C9H11BO3, COA of Formula: C7H11Br.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Herron, Alastair N. published the artcileδ-C-H Halogenation Reactions Enabled by a Nitrogen-Centered Radical Precursor, Application of 1-Bromooctane, the publication is Organic Letters (2022), 24(20), 3652-3656, database is CAplus and MEDLINE.

Herein, new hydrazonyl carboxylic acids RN(S(O)₂R¹)N=C(Me)C(O)OH (R = octyl, 2-(adamantan-1-yl)ethyl, 4-methylpentyl, etc.; R¹ = 4-methylphenyl, 4-methoxyphenyl, 4-bromophenyl, 4-(trifluoromethyl)phenyl) precursor to nitrogen-centered radicals and its application toward remote C-H fluorination and chlorination reactions of sulfonyl-protected alkyl amines R¹S(O)₂NHR² (R² = 4-fluorooctyl, 2-(2-fluorocyclobutyl)ethyl, 4-fluoro-4-methylpentyl, etc.) via 1,5-HAT were disclosed.

Organic Letters published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, Application of 1-Bromooctane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary