Tag: M.W=150-200

Gutch, Pranav K. published the artcileN,N-Dichlorovaleramide: An Efficient Decontaminating Reagent for Sulfur Mustard, COA of Formula: C4H8Cl2S2, the publication is Industrial & Engineering Chemistry Research (2012), 51(16), 5830-5837, database is CAplus.

An efficient and operationally simple method for the chem. decontamination of sulfur mustard has been reported herein. A newly synthesized (pos. chlorine bearing) reagent N,N-dichlorovaleramide has been utilized for this purpose. Decontamination has been achieved in aqueous and aprotic media. The reaction was monitored by gas chromatog.-mass spectrometry and NMR spectroscopy. This reagent is more effective, stable, economical, and easy to synthesize and leads to instant decontamination of sulfur mustard. The reaction was found to instantaneously and completely convert sulfur mustard to innocuous products at different temperatures (-10 to 25 °C).

Industrial & Engineering Chemistry Research published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, COA of Formula: C4H8Cl2S2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Laurens, J. B. published the artcileValidated method for quantitation of biomarkers for benzene and its alkylated analogues in urine, HPLC of Formula: 33697-81-3, the publication is Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences (2002), 774(2), 173-185, database is CAplus and MEDLINE.

A validated gas chromatog.-mass spectrometric method for the anal. of the metabolites of benzene and its alkylated analogs in urine is reported. A number of metabolites, as required by authorities for biomonitoring of industrial exposure to aromatic vapor, were analyzed simultaneously with preservation of quant. information concerning positional isomers. The use of this method replaces a combination of anal. methods required for the anal. of all these metabolites. Urine samples were subjected to acidic deconjugation followed by a derivatization step. Phenol, ortho-, meta-, para-cresol, mandelic acid, and ortho-, meta-, para-methylhippuric acid were analyzed as their corresponding ethoxycarbonyl derivatives, with single ion monitoring. The mass-to-charge ratios (m/z) of the ions used for quantitation by single ion monitoring of the metabolites were: phenol, 94 m/z; cresols, 108 m/z; mandelic acid, 206 m/z; hippuric acid, 105 m/z; methylhippuric acids, 119 m/z. The mass-to-charge ratios for the internal standards were: [²H₆]phenol, 99 m/z; p-chlorophenol, 128 m/z and 3-chloro-4-hydroxyphenyl acetic acid, 214 m/z. The limits of detection for phenol and the cresols were below 0.4 μmol/l and below 0.05 μmol/l for mandelic acid and the hippuric acids. Within-run precision for mandelic acid was 6.2%, for hippuric acid was 7.32% and was below 5% for the rest of the analytes.

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, HPLC of Formula: 33697-81-3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Fadeev, Alexander Y. published the artcileSelf-Assembly Is Not the Only Reaction Possible between Alkyltrichlorosilanes and Surfaces: Monomolecular and Oligomeric Covalently Attached Layers of Dichloro- and Trichloroalkylsilanes on Silicon, SDS of cas: 14799-94-1, the publication is Langmuir (2000), 16(18), 7268-7274, database is CAplus.

Si-supported alkylsiloxane layers were prepared by reaction of alkylmethyldichlorosilanes and alkyltrichlorosilanes with Si wafers under two conditions: (1) in the vapor phase and (2) in toluene in the presence of ethyldiisopropylamine. Covalent attachment of di- and trichlorosilanes to the surface of Si/Si oxide through Si_S-O-Si bonds occurs for the amine-catalyzed reactions. This sets apart this reaction from the self-assembly process that occurs in the reaction between certain trichlorosilanes and hydrated SiO₂ with no amine present. The thickness of the layers formed from dichloro- and trichlorosilanes (as assessed by ellipsometry) is on the order of the single mol. sizes and increases gradually with alkyl chain length. The thickness values are considerably smaller (by a factor of ∼0.75) than the length of the fully stretched alkyl chain, which argues for disordered structures of the monolayers. Dynamic advancing and receding contact angles for H₂O, methylene iodide, and hexadecane argue for interaction between the probe fluids and accessible silanol groups (Si-OH) on the surface. H₂O contact angles increase with alkyl chain length and level at θ_A/θ_R ≃103°/∼90° for relatively long alkyl chains (approx. C₆ and longer), indicating that these surfaces project disordered Me and methylene groups toward the probe fluid. N-Hexadecane and methylene iodide contact angles show more complex behavior, which is discussed. The vapor-phase reaction of di- and trichlorosilanes with Si wafers yields surfaces that depend dramatically on the alkyl chain of the silane. Alkylsilanes with short and medium chains form polymeric grafted layers with thicknesses ranging from a few nanometers for dichlorosilanes up to tens of nanometers for trichlorosilanes. The authors suggest a mechanism that involves polycondensation of chlorosilanes into 3-dimensional alkylsiloxanes in the presence of adsorbed H₂O. Dynamic advancing and receding contact angles of H₂O, methylene iodide, and hexadecane on these surfaces are consistently higher than for surfaces prepared in the liquid phase. Alkylsilanes with long alkyl moieties yield approx. monomol. layers that exhibit wettabilities similar to those for surfaces prepared in the liquid phase.

Langmuir published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, SDS of cas: 14799-94-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Alexander, J. R. published the artcileAction of chloramine-T on disulfides containing the S-S linking, Quality Control of 1002-41-1, the publication is Journal of the Chemical Society (1932), 2087, database is CAplus.

The sulfide mol. ruptures at the S-S linking and each half reacts as a mercaptan. (ClCH₂CH₂)₂S₂ and chloramine-T give β-chloroethyl-p-toluenesulfonimidosulfine-p-toluenesulfonylimine, m. 154°; Et₂S₂ gives the corresponding Et derivative and Ph₂S₂ gives the Ph derivative

Journal of the Chemical Society published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Quality Control of 1002-41-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Gasson, E. J. published the artcileNew organic sulfur vesicants. IV. 1,2-Di(2-chloroethylthio)ethane and analogs, Quality Control of 1002-41-1, the publication is Journal of the Chemical Society (1948), 44-6, database is CAplus and MEDLINE.

1,2-Bis(2-hydroxypropylmercapto)ethane, b₅ 189-90°, m. 28°; the di-2-Cl analog b_0.005 78-9°, m. 14-15°. HOC₂H₄SH with 30.5% H₂O₂ at a temperature below 50° gives bis(2-hydroxyethyl) disulfide, b_0.015 106°, m. 25-6°. S(C₂H₄OH)₂ and HOC₂H₄SH (100 g. total) in the ratio of 90:10, heated 75 min. at 90° with 400 cc. concentrated HCl, give 80.8% S(CH₂CH₂Cl)₂ (I); a ratio of 80:20 gives 69% I and a ratio of 70:30 gives 54.6% I. An equimol. ratio (61:39) gives (from 106 g. reaction product) 46% I, 20.6 g. crude (CH₂)₂(SC₂H₄Cl)₂, and some 1,17-dichloro-3,6,9,12,15-pentathiaheptadecane, Cl(C₂H₄S)₅C₂H₄Cl, amorphous, m. 100°. The following (CH₂)_n(SC₂H₄X)₂ were prepared by the method described in part II, using (CH₂)_nBr₂ and HSC₂H₄OH with EtONa, followed by reaction with SOCl₂; compounds with n = 0, 1, 3, and 4 were prepared to check the purity of previously reported compounds The empirical vesicant powers (V) are based on mustard gas= X=OH, X=Cl; B.p.,, mm., M.p.,, B.p.,, mm., M.p.,; n, °C., °C, °C., °C., V; 0, 106, 0.015, 25-6, 100, 0.5, -2 to 0, 1; 1, 114-15, 0.005, 18, 80-1, 0.03, 30.7, 200; 2, …, …, .., 140, 2, 57, 500; 3, 200, 4, 18, 86, 0.04, 11.5, 400-500; 4, 207, 3, 30, 104, 0.06 , -1, 400; 5, 210, 3, 30, 104, 0.003, -6, 200; 6, 130, 0.02, 45, 112, 0.03, 14-15, 50; 8, …, …, 60-1, .., …, 21-2, 1; 9, …, …, 63-4, .., …, 24, 1; 10, …, …, 70, .., …, 32, 1; 100.

Journal of the Chemical Society published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Quality Control of 1002-41-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cui, J. Jean published the artcileDiscovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (c-MET) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (PF-04217903) for the Treatment of Cancer, COA of Formula: C8H7ClO3, the publication is Journal of Medicinal Chemistry (2012), 55(18), 8091-8109, database is CAplus and MEDLINE.

The c-MET receptor tyrosine kinase is an attractive oncol. target because of its critical role in human oncogenesis and tumor progression. An oxindole hydrazide hit 6 (VI) was identified during a c-MET HTS campaign and subsequently demonstrated to have an unusual degree of selectivity against a broad array of other kinases. The cocrystal structure of the related oxindole hydrazide c-MET inhibitor 10 (X) with a nonphosphorylated c-MET kinase domain revealed a unique binding mode associated with the exquisite selectivity profile. The chem. labile oxindole hydrazide scaffold was replaced with a chem. and metabolically stable triazolopyrazine scaffold using structure based drug design. Medicinal chem. lead optimization produced 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (2, II, PF-04217903), an extremely potent and exquisitely selective c-MET inhibitor. 2 Demonstrated effective tumor growth inhibition in c-MET dependent tumor models with good oral PK properties and an acceptable safety profile in preclin. studies. 2 Progressed to clin. evaluation in a Phase I oncol. setting.

Journal of Medicinal Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, COA of Formula: C8H7ClO3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Che, Chao published the artcileSynthesis and bioactivity of 2-amino-5[(2-chloropyrid)-4-yl]-1,3,4-thiadiazole derivatives, Product Details of C6H4ClNO2, the publication is Yingyong Huaxue (2002), 19(8), 795-797, database is CAplus.

By combining 2-chloropyridine, 1,3,4-thiadiazole and acylamide, three toxophoric moieties, seven title compounds I (R = Me, Ph, Et, i-Pr, Bn, n-Bu, α-Furanyl) were synthesized in seven steps. The preliminary biol. activity tests showed that the title compounds had certain plant growth regulating effect as well as fungicidal activity.

Yingyong Huaxue published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Product Details of C6H4ClNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Xiantang published the artcileNickel/Photo-Cocatalyzed Acyl C-H Benzylation of Aldehydes with Benzyl Chlorides, Synthetic Route of 620-20-2, the publication is European Journal of Organic Chemistry (2022), 2022(17), e202200214, database is CAplus.

Authors have developed a nickel/TBADT cocatalyzed acyl C-H benzylation of both aliphatic and aromatic aldehydes with primary and secondary benzyl chlorides under mild reaction conditions. The protocol provides a convenient and efficient method to synthesize a variety of ketones.

European Journal of Organic Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Synthetic Route of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Miranda, Alexandre S. published the artcileDihomooxacalix[4]arene-based fluorescent receptors for anion and organic ion pair recognition, Quality Control of 6249-56-5, the publication is Molecules (2020), 25(20), 4708, database is CAplus and MEDLINE.

Fluorescent dihomooxacalix[4]arene-based receptors 5a-5c, bearing two naphthyl(thio)ureido groups at the lower rim via a Bu spacer, were synthesized and obtained in the cone conformation in solution The X-ray crystal structures of 1,3-(5a) and 3,4-dinaphthylurea (5b) derivatives are reported. Their binding properties towards several anions of different geometries were assessed by 1H-NMR, UV-Vis absorption and fluorescence titrations Structural and energetic insights of the naphthylurea 5a and 5b complexes were also obtained using quantum mech. calculations The data showed that all receptors follow the same trend, the association constants increase with the anion basicity, and the strongest complexes were obtained with F^–, followed by the oxoanions AcO^– and BzO^–. Proximal urea 5b is a better anion receptor compared to distal urea 5a, and both are more efficient than thiourea 5c. Compounds 5a and 5b were also investigated as heteroditopic receptors for biol. relevant alkylammonium salts, such as the neurotransmitter γ-aminobutyric acid (GABA·HCl) and the betaine deoxycarnitine·HCl. Chiral recognition towards the guest sec-butylamine·HCl was also tested, and a 5:2 selectivity for (R)-sec-BuNH₃⁺·Cl^– towards (P) or (M) enantiomers of the inherently chiral receptor 5a was shown. Based on DFT calculations, the complex [(S)-sec-BuNH₃⁺·Cl^–/(M)-5a] was indicated as the more stable.

Molecules published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Quality Control of 6249-56-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zeiger, Errol published the artcileThe Proportions of Mutagens among Chemicals in Commerce, Product Details of C5H13Cl2N, the publication is Regulatory Toxicology and Pharmacology (2000), 32(2), 219-225, database is CAplus and MEDLINE.

It has been estimated that there are approx. 80,000 chems. in commerce. Thus, it is not possible to test all these substances for mutagenicity and carcinogenicity; it is possible, however, to test or make estimates from selected subsets of these chems. For example, in the U.S. National Toxicol. Program (NTP), 35% of the chems. tested for mutagenicity in Salmonella were pos., as were 52% of the chems. tested for carcinogenicity in rodents. In contrast, in the U.S. EPA Gene-Tox database, the proportions of chems. that are Salmonella mutagens is 56%. These and other databases may be biased toward pos. responses because they generally have been developed to look at specific structural or use classes of chems. or chems. suspected of genetic or carcinogenic activity. To address the question of the proportions of mutagens among all chems. in commerce, a database of 100 chems. was created from a random selection of chems. in commerce. These chems. were tested for mutagenicity in Salmonella and 22% were mutagenic. The mutagenicity of the 46 highest U.S. production organic chems. was also compiled; 20% were mutagenic. These values provide a more accurate estimate of the proportions of mutagens among chems. in commerce than can be derived from published mutagenicity databases. (c) 2000 Academic Press.

Regulatory Toxicology and Pharmacology published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C6H4KNO6S, Product Details of C5H13Cl2N.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics