Month: January 2023

Kinetic solvent isotope effect, solvent reorganization and the Sn1-Sn2 mechanism was written by Treindl, L.;Robertson, Ross Elmore;Sugamori, S. E.. And the article was included in Canadian Journal of Chemistry in 1969.Recommanded Product: 1-Bromo-4-methoxybutane This article mentions the following:

The temperature dependence of the rates of solvolysis were determined in D2O for tert-Bu chloride, 2,2-dibromopropane, 2-bromo-2-chloropropane, and 2-chloro-2-methylpropyl Me ether, and corresponding values of ΔHîŒ? ΔSîŒ? and ΔCp are derived. Values of ΔHîŒ?and ΔSîŒ?from the solvolysis of 7 other halides and 2 benzenesulfonates were estimated from rate determinations at 2 temperatures in D2O. A comparison of these values with terms from corresponding experiments in H2O provide values of δ1ΔGîŒ? δ1ΔHîŒ? and δ1ΔSîŒ?characterizing the kinetic solvent isotope effect. While δ1ΔGîŒ?appears to have about the same value for a wide range of halides of different structure irresp. of the probable mechanism of reaction, systematic differences in δ1ΔHîŒ?and δ1ΔSîŒ?differentiate those reacting by an SN2 mechanism from those reacting by an SN1 mechanism. This difference is in the direction suggesting a loosening of solvent structure in the activation process in agreement with indications obtained from the corresponding values of the heat capacity of activation. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4Recommanded Product: 1-Bromo-4-methoxybutane).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Recommanded Product: 1-Bromo-4-methoxybutane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of HIV NNRTI Doravirine Analogues via Visible-Light Photoredox Decarboxylative Cross-Coupling was written by Suen, Linda M.;Wang, Cheng;Hunter, David N.;Mitchell, Helen J.;Converso, Antonella;ElMarrouni, Abdellatif. And the article was included in Synthesis in 2018.Safety of Methyl 4-bromo-2-fluorobenzoate This article mentions the following:

A C(sp ²)-C(sp ³) decarboxylative cross-coupling reaction utilizing dual nickel and photoredox catalysis for rapid parallel synthesis of diverse C-ring analogs of the HIV NNRTI clin. candidate doravirine is developed and described herein. This protocol features an alkylation with readily available and inexpensive Me bromoacetate followed by hydrolysis to prepare an advanced doravirine intermediate, which undergoes decarboxylative cross-coupling with a variety of aryl and heteroaryl bromides. The mildness, broad applicability, and sustainability of the current methodol. are improvements over previously reported procedures and allow for rapid parallel synthesis of analogs. The optimization and scope of this method are reported. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2Safety of Methyl 4-bromo-2-fluorobenzoate).

Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Safety of Methyl 4-bromo-2-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hypolipidemic alkoxybenzoic acids was written by DeVries, Vern G.;Moran, Daniel B.;Allen, George R.;Riggi, Stephen J.. And the article was included in Journal of Medicinal Chemistry in 1976.SDS of cas: 56523-59-2 This article mentions the following:

A series of �0 p-alkoxybenzoic acids (I) with aromatic ring substituents or modified alkyl or unsaturated chains (R1), prepared by alkylation of the appropriate hydroxybenzoate ester followed by saponification, was screened in rats for serum-sterol and triglyceride lowering activity. Alkyl chain substituents such as chloro and oximino enhanced activity, while azido, thiol, and some alkylthio groups resulted in retention of activity. Some alkylthio substituents on the alkyl chain and aryl ring substituents abolished sterol-lowering activity. The effect of alkyl chain branching was variable, while unsaturation had no adverse effect on activity except when located near either end of the chain. In the experiment, the researchers used many compounds, for example, 15-Bromopentadecanoic acid (cas: 56523-59-2SDS of cas: 56523-59-2).

15-Bromopentadecanoic acid (cas: 56523-59-2) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.SDS of cas: 56523-59-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and biological evaluation of novel sulfone derivatives containing 1,3,4-oxadiazole moiety was written by Su, Shihu;Zhou, Xia;Zhou, Yan;Liao, Guoping;Shi, Li;Yang, Xia;Zhang, Xian;Jin, Linhong. And the article was included in World Journal of Organic Chemistry in 2014.Recommanded Product: 653-92-9 This article mentions the following:

Series of novel sulfone derivatives containing 1,3,4-oxadiazole moiety I [R¹ = 4-F-2-Me, 2,5-Cl₂, 2-Br-4-F, etc.; R² = Me, Et, CH(CH₃)₂, n-propyl] and II [R² = Me, Et, CH₂Ph] were synthesized. All the target compounds were characterized by ¹H and ¹³C NMR, IR spectroscopy and elemental anal. Their antifungal activities were tested in vitro with six important phytopathogenic fungi, namely, Gibberella zeae, Fusarium oxysporum, Cytospora mandshurica, Phytophthora infestans, Paralepetopsis sasakii and Sclerotinia sclerotiorum using the mycelium growth inhibition method. Their antibacterial activities were tested in vitro with two important phytopathogenic bacteria, namely, Xanthomonas oryzae and Ralstonia solanacearum from tobacco bacterial by the turbid meter test. Compounds I [R¹ = 2-Cl-4-F, 4-CF₃; R² = Me] and II [R² = Me, Et] exhibited the most potent inhibition against R. solanacearum and X. oryzae with 50% inhibition concentration (EC₅₀) from 1.97 to 7.75 μg/mL and 0.45 to 0.52 μg/mL, resp. Their antifungal tests indicated that among target compounds exhibited good antifungal activities against six kinds of fungi, especially against S. sclerotiorum with EC₅₀ from 3.71 to 17.44 μg/mL. In vivo antibacterial activities tests demonstrated that the controlling effect of compound II [R² = Me] (81.9%) against rice bacterial leaf blight were better than that of bismerthiazol (50.8%) and thiodiazole-copper (44.7%). The results also demonstrated that compounds I [R¹ = 2-Cl-4-F; R² = Me] and II [R² = Me, Et] had a better antifungal and antibacterial activity, with good characteristics of broad spectrum. The structure-activity relationships were also discussed. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Recommanded Product: 653-92-9).

Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Recommanded Product: 653-92-9

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors was written by Hartz, Richard A.;Ahuja, Vijay T.;Nara, Susheel J.;Kumar, C. M. Vijaya;Manepalli, Raju K. V. L. P.;Sarvasiddhi, Sarat Kumar;Honkhambe, Swarnamba;Patankar, Vidya;Dasgupta, Bireshwar;Rajamani, Ramkumar;Muckelbauer, Jodi K.;Camac, Daniel M.;Ghosh, Kaushik;Pokross, Matthew;Kiefer, Susan E.;Brown, Jeffrey M.;Hunihan, Lisa;Gulianello, Michael;Lewis, Martin;Lippy, Jonathan S.;Surti, Neha;Hamman, Brian D.;Allen, Jason;Kostich, Walter A.;Bronson, Joanne J.;Macor, John E.;Dzierba, Carolyn D.. And the article was included in Journal of Medicinal Chemistry in 2022.Recommanded Product: 2-Amino-5-bromo-4-methoxybenzoic acid This article mentions the following:

Investigation of the structure-activity relationships (SARs) of substituents on the resultant quinazoline and quinoline ring systems led to the identification of (S)- I =[R¹ = CN, R² = H], a brain-penetrant, AAK1-selective inhibitor with improved enzyme and cellular potency. The synthesis, SAR, and in vivo evaluation of a series of quinazoline and quinoline-based AAK1 inhibitors were described herein. In the experiment, the researchers used many compounds, for example, 2-Amino-5-bromo-4-methoxybenzoic acid (cas: 169045-04-9Recommanded Product: 2-Amino-5-bromo-4-methoxybenzoic acid).

2-Amino-5-bromo-4-methoxybenzoic acid (cas: 169045-04-9) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Recommanded Product: 2-Amino-5-bromo-4-methoxybenzoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A multifunctional fluorescent molecule with AIE characteristics for SO₂ derivatives detection, fluorescence ink and latent fingerprint imaging was written by Li, Shifei;Wang, Lin;Ma, Yanyan;Zhu, Linlin;Lin, Weiying. And the article was included in Sensors and Actuators, B: Chemical in 2022.Related Products of 128-08-5 This article mentions the following:

With the increasing interest and demand for multifunctional fluorescence materials, a judicious and facile design is essential but still challenging. Herein, a new multifunctional fluorescence mol. (TCMn) with AIE characteristics was rationally designed and synthesized. TCMn could not only specifically recognize exogenous and endogenous SO₂ derivatives (HSO₃^– /SO₃^2-) in living cells, but also could be used as a fluorescent ink. The TCMn solution as a fluorescence ink exhibited excellent fluorescence stability and resistance to photobleaching. More importantly, TCMn was used for visualizing latent fingerprints on different object surfaces. This work provides a new strategy for mol. design and development of multifunctional fluorescent mol. materials for practical applications. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Related Products of 128-08-5).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Related Products of 128-08-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

C-H Bond Functionalization in the Synthesis of Fused 1,2,3-Triazoles was written by Panteleev, Jane;Geyer, Karolin;Aguilar-Aguilar, Angelica;Wang, Letian;Lautens, Mark. And the article was included in Organic Letters in 2010.Name: 2-Bromo-4-methyl-6-nitroaniline This article mentions the following:

A highly modular approach to fused 1,2,3-triazoles, e.g. I, has been developed featuring a one-pot procedure combining copper(I) catalyzed azide-alkyne cycloaddition and palladium-catalyzed C-H bond functionalization. A class of structurally unique heterocycles was synthesized in good yields. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-methyl-6-nitroaniline (cas: 827-24-7Name: 2-Bromo-4-methyl-6-nitroaniline).

2-Bromo-4-methyl-6-nitroaniline (cas: 827-24-7) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Name: 2-Bromo-4-methyl-6-nitroaniline

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of new optically active 2-pyrrolidinones was written by Moutevelis-Minakakis, Panagiota;Papavassilopoulou, Eleni;Mavromoustakos, Thomas. And the article was included in Molecules in 2013.Computed Properties of C5H11BrO This article mentions the following:

A new class of optically active 2-pyrrolidinones was synthesized, starting from (S)-pyroglutamic acid, a well known natural chiral synthon. The synthetic design followed led to the insertion of various substituents at positions 1 and 5 of the 2-pyrrolidinone ring, including the imidazole moiety. Some of them possess 2 or 3 stereogenic centers, the configuration of which was retained under the mild conditions used. The new compounds also carry an imidazole moiety, which, along with the 2-pyrrolidinone template, may prove pivotal to several biol. processes. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4Computed Properties of C5H11BrO).

1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Computed Properties of C5H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery of 4-Benzyloxybenzo[d]isoxazole-3-amine Derivatives as Highly Selective and Orally Efficacious Human Sphingomyelin Synthase 2 Inhibitors that Reduce Chronic Inflammation in db/db Mice was written by Mo, Mingguang;Yang, Jintong;Jiang, Xian-Cheng;Cao, Yu;Fei, Jinyu;Chen, Yang;Qi, Xiangyu;Chu, Yong;Zhou, Lu;Ye, Deyong. And the article was included in Journal of Medicinal Chemistry in 2018.Category: bromides-buliding-blocks This article mentions the following:

Sphingomyelin synthase 2 (SMS2) is a promising therapeutic target for several chronic inflammation-associated diseases, including atherosclerosis, fatty liver and insulin resistance. Herein, we report the identification of 4-benzyloxybenzo[d]isoxazole-3-amine derivatives as potent and highly selective SMS2 inhibitors through a conformational restriction strategy. After systematic structural modifications, several compounds with high selectivity and good potency in vitro were selected for further evaluation. Compound I demonstrated good pharmacokinetics (oral bioavailability, F = 56%) in vivo and has an inhibitory potency against sphingomyelin synthase activity when ICR (Institute of Cancer Research) mice are provided with an oral dose of this compound In addition, compound I attenuated chronic inflammation significantly in db/db mice after oral dosing for 6 wk. In the experiment, the researchers used many compounds, for example, 2-(Bromomethyl)-1,3-dimethylbenzene (cas: 83902-02-7Category: bromides-buliding-blocks).

2-(Bromomethyl)-1,3-dimethylbenzene (cas: 83902-02-7) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Component analysis of 450 °C pyrolyzate from benzene/ethanol extractive of Camellia oleifera cakes was written by Mo, Wei;Zhang, Dang-quan;Li, Bi-xia;Gu, Zhen-jun;Chen, Rong;Ye, Xiao-fei;Peng, Kuan;Zhang, Xiao-lei. And the article was included in Zhongnan Linye Keji Daxue Xuebao in 2015.Synthetic Route of C15H29BrO2 This article mentions the following:

Camellia oleifera cake was firstly lyophilized and extracted by Soxhlet extraction method, the benzene/ethanol extractive was treated with a thermal cracking process in He-flow at 450°C, and then the thermal-cracking product was analyzed by online Py-GC/MS, the relative contents of each component were computed by adopting chromatog. peak area normalization method, a total of 30 compounds were identified. The anal. results show that the pyrolyzate of the benzene/ethanol extractives contains various kinds of precious biomedical, spicery ingredients and specific chems., which are of great potentialities for high-grade cosmetics and skin care products, as well as excellent materials for food, dye and solvent industries. The findings provide new developing directions for deep processing and utilization of Camellia oleifera cakes resources. In the experiment, the researchers used many compounds, for example, 15-Bromopentadecanoic acid (cas: 56523-59-2Synthetic Route of C15H29BrO2).

15-Bromopentadecanoic acid (cas: 56523-59-2) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Synthetic Route of C15H29BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary