Month: December 2022

Fowles, Gerald W. A. published the artcileDonor properties of simple ethers. II. Complexes of manganese(II), iron(II), cobalt(II) and nickel(II) halides with tetrahydrofuran and 1,2-dimethoxyethane, Name: Cobalt(II) dibromo(1,2-dimethoxyethane), the publication is Journal of Inorganic and Nuclear Chemistry (1969), 31(10), 3119-31, database is CAplus.

The reactions of several dihalides of Mn(II), Fe(II), Co(II), Ni(II), cu (II), and Cd(II), and Fe(III) chloride with tetrahydrofuran and 1,2-dimethoxyethane have been investigated and the following complexes prepared: MCl2.1.5-C4H8O (M = Mn, Fe, or Co), CoX2.C4H8O (X = Br or I), NiCl2.C4H8O.EtOH, MX2.C4H10O2 (M = Mn, Fe, Co, Ni, or Cd and X = Cl, Br, or I), FeCl3.C4H10O2, and 2CuCl2.C4H10O2. The structures of several of these complexes have been deduced from a study of their electronic spectra, far-ir spectra, and room temperature magnetic properties. However, the magnetic moments of several of these complexes (e.g. pseudotetrahedral CoX2.-C4H10O2) are unusual in that they exhibit marked temperature dependence, although the ground state formally is an orbital singlet. The tetrahydrofuran derivatives MCl2.1.5C4H8O are of unusual stoichiometry, and while it is suggested that these products are a 1:1 mixture of tetrahedral CoCl2.2C4H8O and octahedral CoCl2.C4H8O their structure remains in some doubt.

Journal of Inorganic and Nuclear Chemistry published new progress about 18346-57-1. 18346-57-1 belongs to bromides-buliding-blocks, auxiliary class Cobalt, name is Cobalt(II) dibromo(1,2-dimethoxyethane), and the molecular formula is C4H10Br2CoO2, Name: Cobalt(II) dibromo(1,2-dimethoxyethane).

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

Nicolaou, K. C. published the artcile12,13-Aziridinyl Epothilones. Stereoselective Synthesis of Trisubstituted Olefinic Bonds from Methyl Ketones and Heteroaromatic Phosphonates and Design, Synthesis, and Biological Evaluation of Potent Antitumor Agents, Application of (4-Bromobut-1-yn-1-yl)trimethylsilane, the publication is Journal of the American Chemical Society (2017), 139(21), 7318-7334, database is CAplus and MEDLINE.

The synthesis and biol. evaluation of a series of 12,13-aziridinyl epothilone B analogs is described. These compounds were accessed by a practical, general process that involved a 12,13-olefinic Me ketone as a starting material obtained by ozonolytic cleavage of epothilone B followed by tungsten-induced deoxygenation of the epoxide moiety. The attachment of the aziridine structural motif was achieved by application of the Ess-Kurti-Falck aziridination, while the heterocyclic side chains were introduced via stereoselective phosphonate-based olefinations. In order to ensure high (E) selectivities for the latter reaction for electron-rich heterocycles, it became necessary to develop and apply an unprecedented modification of the venerable Horner-Wadsworth-Emmons reaction, employing 2-fluoroethoxyphosphonates that may prove to be of general value in organic synthesis. These studies resulted in the discovery of some of the most potent epothilones reported to date. Equipped with functional groups to accommodate modern drug delivery technologies, some of these compounds exhibited picomolar potencies that qualify them as payloads for antibody drug conjugates (ADCs), while a number of them revealed impressive activities against drug resistant human cancer cells, making them desirable for potential medical applications.

Journal of the American Chemical Society published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, Application of (4-Bromobut-1-yn-1-yl)trimethylsilane.

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

Kalyavin, V. A. published the artcileOn the rearrangement of radicals formed in the decomposition of β-bromocarboxylic acids, SDS of cas: 56970-78-6, the publication is Vestnik Moskovskogo Universiteta, Seriya 2: Khimiya (1999), 40(6), 384-389, database is CAplus.

Hydrobrominating RCH:CR¹CO₂H (R = Me, Ph, R¹ = H; R = H, R¹ = Me) with HBr in AcOOH gave 57-83% yields of the corresponding RCHBrCHR¹CO₂H, which reacted with SOCl₂ to give the acid chlorides and then with H₂O₂ in pyridine to give the corresponding (RCHBrCHR¹CO)₂O₂ (I) in ≤75% yield. I underwent thermolysis at 80° or UV photolysis in C₆H₆ or PhMe to give complex mixtures via rearrangement of the initially formed primary radicals to secondary ones via a 1,2-shift of the Br atom.

Vestnik Moskovskogo Universiteta, Seriya 2: Khimiya 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

Grant, Thomas M. published the artcileTowards eco-friendly marine antifouling biocides – Nature inspired tetrasubstituted 2,5-diketopiperazines, Name: 1-Bromododecane, the publication is Science of the Total Environment (2022), 152487, database is CAplus and MEDLINE.

Marine biofouling plagues all maritime industries at vast economic and environmental cost. Previous and most current methods to control biofouling have employed highly persistent toxins and heavy metals, including tin, copper, and zinc. These toxic methods are resulting in unacceptable environmental harm and are coming under immense regulatory pressure. Eco-friendly alternatives are urgently required to effectively mitigate the neg. consequence of biofouling without causing collateral harm. Amphiphilic micropeptides have recently been shown to exhibit excellent broad-spectrum antifouling activity, with a non-toxic mode of action and innate biodegradability. The present work focused on incorporating the pharmacophore derived from amphiphilic micropeptides into a 2,5-diketopiperazine (DKP) scaffold. This privileged structure is present in a vast number of natural products, including marine natural product antifoulants, and provides advantages of synthetic accessibility and adaptability. A novel route to sym. tetrasubstituted DKPs was developed and a library of amphiphilic 2,5-DKPs were subsequently synthesized. These biodegradable compounds were demonstrated to be potent marine antifoulants displaying broad-spectrum activity in the low micromolar range against a range of common marine fouling organisms. The outcome of planned coating and field trials will dictate the future development of the lead compounds

Science of the Total Environment published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C12H25Br, Name: 1-Bromododecane.

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

Grant, Thomas M. published the artcileTowards eco-friendly marine antifouling biocides – Nature inspired tetrasubstituted 2,5-diketopiperazines, SDS of cas: 111-83-1, the publication is Science of the Total Environment (2022), 152487, database is CAplus and MEDLINE.

Marine biofouling plagues all maritime industries at vast economic and environmental cost. Previous and most current methods to control biofouling have employed highly persistent toxins and heavy metals, including tin, copper, and zinc. These toxic methods are resulting in unacceptable environmental harm and are coming under immense regulatory pressure. Eco-friendly alternatives are urgently required to effectively mitigate the neg. consequence of biofouling without causing collateral harm. Amphiphilic micropeptides have recently been shown to exhibit excellent broad-spectrum antifouling activity, with a non-toxic mode of action and innate biodegradability. The present work focused on incorporating the pharmacophore derived from amphiphilic micropeptides into a 2,5-diketopiperazine (DKP) scaffold. This privileged structure is present in a vast number of natural products, including marine natural product antifoulants, and provides advantages of synthetic accessibility and adaptability. A novel route to sym. tetrasubstituted DKPs was developed and a library of amphiphilic 2,5-DKPs were subsequently synthesized. These biodegradable compounds were demonstrated to be potent marine antifoulants displaying broad-spectrum activity in the low micromolar range against a range of common marine fouling organisms. The outcome of planned coating and field trials will dictate the future development of the lead compounds

Science of the Total Environment 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, SDS of cas: 111-83-1.

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

Fauber, Benjamin P. published the artcileDiscovery of 1-{4-[3-Fluoro-4-((3S,6R)-3-methyl-1,1-dioxo-6-phenyl-[1,2]thiazinan-2-ylmethyl)-phenyl]-piperazin-1-yl}-ethanone (GNE-3500): a Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C (RORc or RORγ) Inverse Agonist, HPLC of Formula: 76283-09-5, the publication is Journal of Medicinal Chemistry (2015), 58(13), 5308-5322, database is CAplus and MEDLINE.

Retinoic acid receptor-related orphan receptor C (RORc, RORγ, or NR1F3) is a nuclear receptor that plays a major role in the production of interleukin (IL)-17. Considerable efforts have been directed toward the discovery of selective RORc inverse agonists as potential treatments of inflammatory diseases such as psoriasis and rheumatoid arthritis. Using the previously reported tertiary sulfonamide as a starting point, the authors engineered structural modifications that significantly improved human and rat metabolic stabilities while maintaining a potent and highly selective RORc inverse agonist profile. The most advanced δ-sultam compound I possessed favorable RORc cellular potency with 75-fold selectivity for RORc over other ROR family members and >200-fold selectivity over 25 addnl. nuclear receptors in a cell assay panel. The favorable potency, selectivity, in vitro ADME properties, in vivo PK, and dose-dependent inhibition of IL-17 in a PK/PD model support the evaluation of I in preclin. studies.

Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, HPLC of Formula: 76283-09-5.

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

Ronson, Thomas O. published the artcileRuthenium-Catalyzed Reductive Arylation of N-(2-Pyridinyl)amides with Isopropanol and Arylboronate Esters, SDS of cas: 849062-12-0, the publication is Angewandte Chemie, International Edition (2019), 58(2), 482-487, database is CAplus and MEDLINE.

A new three-component reductive arylation of amides with stable reactants (iPrOH and arylboronate esters), making use of a 2-pyridinyl (Py) directing group, is described. The N-Py-amide substrates are readily prepared from carboxylic acids and PyNH₂, and the resulting N-Py-1-arylalkanamine reaction products are easily transformed into the corresponding chlorides by substitution of the HN-Py group with HCl. The 1-aryl-1-chloroalkane products allow substitution and cross-coupling reactions. Therefore, a general protocol for the transformation of carboxylic acids into a variety of functionalities is obtained. The Py-NH₂ byproduct can be recycled.

Angewandte Chemie, International Edition published new progress about 849062-12-0. 849062-12-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (3-Bromo-5-methoxyphenyl)boronic acid, and the molecular formula is C7H8BBrO3, SDS of cas: 849062-12-0.

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

Hu, Zhaoming published the artcileCobalt-Catalyzed Addition of Ethyl Bromofluoroacetate to Alkynes, Application In Synthesis of 401-55-8, the publication is ChemistrySelect (2021), 6(43), 12276-12279, database is CAplus.

A cobalt-catalyzed oxidative monofluoroalkylation of alkynes with Et bromofluoroacetate was reported. This method enabled direct and facile access to Et bromomonofluoroallyl acetate EtOC(O)CCHFR₁C=CBrR² [R¹ = H, Me, n-Pr, n-Bu, Ph; R² = n-Pr, Ph, 3-pyridyl, etc.] from abundant alkynes with excellent functional group compatibility. Moreover, this cobalt/ethyl bromofluoroacetate protocol could further create a series of radical monofluoroalkylation reactions of a wide array of substrates, offering a generic and complementary platform for the construction of diversified C-CFHCOOEt bonds.

ChemistrySelect 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 In Synthesis of 401-55-8.

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

Troeger, Rikard published the artcileWhat′s in the water? – Target and suspect screening of contaminants of emerging concern in raw water and drinking water from Europe and Asia, Recommanded Product: Dimidium bromide, the publication is Water Research (2021), 117099, database is CAplus and MEDLINE.

There is growing worry that drinking water can be affected by contaminants of emerging concern (CECs), potentially threatening human health. In this study, a wide range of CECs (n = 177), including pharmaceuticals, pesticides, perfluoroalkyl substances (PFASs) and other compounds, were analyzed in raw water and in drinking water collected from drinking water treatment plants (DWTPs) in Europe and Asia (n = 13). The impact of human activities was reflected in large numbers of compounds detected (n = 115) and high variation in concentrations in the raw water (range 15-7995 ng L-1 for ∑177CECs). The variation was less pronounced in drinking water, with total concentration ranging from 35 to 919 ng L-1. Treatment efficiency was on average 65 ± 28%, with wide variation between different DWTPs. The DWTP with the highest ∑CEC concentrations in raw water had the most efficient treatment procedure (average treatment efficiency 89%), whereas the DWTP with the lowest ∑177CEC concentration in the raw water had the lowest average treatment efficiency (2.3%). Suspect screening was performed for 500 compounds ranked high as chems. of concern for drinking water, using a prioritisation tool (SusTool). Overall, 208 features of interest were discovered and three were confirmed with reference standards There was co-variation between removal efficiency in DWTPs for the target compounds and the suspected features detected using suspect screening, implying that removal of known contaminants can be used to predict overall removal of potential CECs for drinking water production Our results can be of high value for DWTPs around the globe in their planning for future treatment strategies to meet the increasing concern about human exposure to unknown CECs present in their drinking water.

Water Research published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C23H28N2O4, Recommanded Product: Dimidium bromide.

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

Macmillan, Wm. Geo. published the artcileFormation of N-nitrosoamines from tertiary amines. I. Conversion of derivatives of dimethylaniline by nitrous acid into the corresponding nitrosoamines and monomethylanilines, HPLC of Formula: 53484-26-7, the publication is Journal of the Chemical Society (1929), 2803-7, database is CAplus.

Abnormal reactions between HNO₂ and tert. aromatic amines occur, leading to the formation of nuclear NO₂ compounds by loss of H or halogens and N-nitrosoamines by loss of an alkyl group. With O₂NC₆H₄NMe₂, both types of reaction occur, the 2nd predominating at room temperature but often being accompanied by the 1st if the temperature is allowed to rise. 3-O₂NC₆H₄NMe₂ (10 g.), 30 cc. HCl and 70 cc. H₂O and 25 cc. of 50% NaNO₂ give 37% of the nitrosamine, 4 g. 3,4-(O₂N)₂C₆H₃NMe₂ and 0.5 g. of the 3,6-di-NO₂ derivative The 4-O₂NC₆H₄NMe₂ gives 46% of the nitrosamine, increased to 75% by the use of 4 times the HNO₂. 3,6-(O₂N)₂C₆H₄NMe₂ gives 73% of 3,6-dinitrophenyl-methylnitrosamine, orange, m. 128°. 4,3-Br(O₂N)C₆H₃NMe₂ gives 57% of 4-bromo-3-nitrophenylmethylnitrosamine, yellow, m. 78°, and a small amount of 3,4,6-Br(O₂N)₂C₆H₂-NMe₂. 4,2-Br(O₂N)C₆H₃NMe₂ gives 80% of the corresponding nitrosamine, m. 73°. Hydrolysis with CO(NH₂)₂ and H₂SO₄ gives the corresponding monomethylanilines: 3,6-di-NO₂, red, m. 163°; 4-bromo-3-nitro, claret, m. 81°; 4-bromo-2-nitro, orange, m. 103°; 4-bromo-2,6-dinitro, yellow, m. 106°.

Journal of the Chemical Society published new progress about 53484-26-7. 53484-26-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Nitro Compound,Amine,Benzene, name is 4-Bromo-N-methyl-2-nitroaniline, and the molecular formula is C7H7BrN2O2, HPLC of Formula: 53484-26-7.

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