Month: December 2022

Sellier, Guy published the artcileDetermination of energies of hydrogen bonds formed between phenol and various bases in carbon tetrachloride, Category: chlorides-buliding-blocks, the publication is Journal de Chimie Physique et de Physico-Chimie Biologique (1968), 65(5), 936-43, database is CAplus.

This method given uses the bonding formation enthalpy, the frequency shift of the proton donor group, and the free overtone value. The method is applied to associations of PhOH with 112 proton acceptors in CCl4 solution A linear relation exists between the formation enthalpy and the frequency shift and another between the H bonding energy and the frequency shift.

Journal de Chimie Physique et de Physico-Chimie Biologique published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C12H23N3S, Category: chlorides-buliding-blocks.

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

Grunwald, Marco Andre published the artcileColumnar Propeller-Like 1,3,5-Triphenylbenzenes: Probing the Effect of Chlorine on the Suzuki Cross-Coupling and Liquid Crystalline Properties, Category: chlorides-buliding-blocks, the publication is European Journal of Organic Chemistry (2020), 2020(15), 2190-2198, database is CAplus.

Suzuki cross-couplings either between chlorinated N-methyliminodiacetic acid (MIDA)-protected aryl boronates and 1,3,5-tribromobenzene or between chlorinated aryl bromides and phenyltrisboronic species to star-shaped 1,3,5-triphenylbenzenes with different substitution patterns and chloro substituents at the outer Ph rings were studied. The chlorinated precursors required for the resp. reaction were synthesized and characterized. Depending on the used coupling reaction target triphenylbenzenes were isolated in yields between 42% and 88%. Their mesomorphic properties were influenced by the substitution pattern and number of peripheral chlorine atoms. Triphenylbenzene with 3,5-alkoxy substitution and H in para-position self-assembled into either columnar hexagonal (Col_h) mesophases or a soft crystal. While threefold chloro substitution in meta-position of the outer Ph rings led to stable room temperature Col_ho phases, triphenylbenzenes with threefold para-chloro or 3,5-dichloro substitution were non-mesomorphic. Based on x-ray diffraction data a helical packing model for the observed phases similar to that of related alkoxy-substituted triphenylbenzenes is proposed.

European Journal of Organic Chemistry published new progress about 19652-33-6. 19652-33-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Phenol,Aldehyde, name is 5-Bromo-3-chloro-2-hydroxybenzaldehyde, and the molecular formula is C7H4BrClO2, Category: chlorides-buliding-blocks.

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

Liu, Congxing published the artcileNewly developed CK1-specific inhibitors show specifically stronger effects on CK1 mutants and colon cancer cell lines, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is International Journal of Molecular Sciences (2019), 20(24), 6184, database is CAplus and MEDLINE.

Protein kinases of the CK1 family can be involved in numerous physiol. and pathophysiol. processes. Dysregulated expression and/or activity as well as mutation of CK1 isoforms have previously been linked to tumorigenesis. Among all neoplastic diseases, colon and rectal cancer (CRC) represent the fourth leading cause of cancer related deaths. Since mutations in CK1δ previously found in CRC patients exhibited increased oncogenic features, inhibition of CK1δ is supposed to have promising therapeutic potential for tumors, which present overexpression or mutations of this CK1 isoform. Therefore, it is important to develop new small mol. inhibitors exhibiting higher affinity toward CK1δ mutants. In the present study, we first characterized the kinetic properties of CK1δ mutants, which were detected in different tumor entities. Subsequently, we characterized the ability of several newly developed IWP-based inhibitors to inhibit wild type and CK1δ mutants and we furthermore analyzed their effects on growth inhibition of various cultured colon cancer cell lines. Our results indicate, that these compounds represent a promising base for the development of novel CRC therapy concepts.

International Journal of Molecular Sciences published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Blair, N. D. published the artcileNovel fire retardant intumescent coatings, Application In Synthesis of 866-23-9, the publication is Journal of Paint Technology (1972), 44(573), 75-82, database is CAplus.

The efficiency of 21 P compounds in epoxy coatings varied in series acids > phosphates .sim. phosphites >> phosphonates. The weight loss, char area, and char volume of epoxy coatings containing tri-Ph phosphite [101-02-0] and tri-Me phosphate [512-56-1] were generally minimized while the intumescence maximized as the concentration of amine catalyst, P compound, and film thickness were increased over a wide range. A combination of a high melting insoluble chlorocarbon and phosphoryltrianilide [5326-10-3] were used to prepare fire retardant pigmented alkyd and chlorinated alkyd paints with excellent water and scrub resistance. The fire retardant properties of epoxy coatings containing (PhO)3P were unchanged after immersion in water at 50.deg. for 24 hr.

Journal of Paint Technology published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application In Synthesis of 866-23-9.

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

Mazurek, Mariusz published the artcileGC-MS identification of sulfur mustard transformation products in a mustard block retrieved from the Baltic Sea, Safety of 1,2-Bis(2-chloroethyl)disulfane, the publication is Biuletyn Wojskowej Akademii Technicznej (2000), 49(8), 89-100, database is CAplus.

The mustard block retrieved from the Baltic Sea has been analyzed using gas chromatog. coupled with mass spectrometry. The mass spectra of the examined samples were determined using electron ionization. In the mustard block have been detected about 36 compounds and 20 of which were identified. Among the identified compounds no thiodiglycols has been detected, which is the main product of sulfur mustard hydrolysis.

Biuletyn Wojskowej Akademii Technicznej 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, Safety of 1,2-Bis(2-chloroethyl)disulfane.

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

Mazurek, M. published the artcileCapillary gas chromatography-atomic emission spectroscopy-mass spectrometry analysis of sulfur mustard and transformation products in a block recovered from the Baltic Sea, Application of 1,2-Bis(2-chloroethyl)disulfane, the publication is Journal of Chromatography A (2001), 919(1), 133-145, database is CAplus and MEDLINE.

A block of yperite recovered from the Baltic Sea was analyzed by gas chromatog. coupled with at. emission spectrometry and mass spectrometry. In the samples of the block �0 compounds were detected, out of which 30 were identified. The identification of the compounds was performed using the element chromatograms of the studied compounds, and the data obtained by mass spectrometric detection. Thiodiglycol was not found among the compounds in the studied block. The calculations of the contents of S mustard and some products in the block were performed by an external calibration method using bis(2-chloroethyl) sulfide as the standard A satisfactory precision of elements determinations was obtained (RSD 4.4-14.3%).

Journal of Chromatography A 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, Application of 1,2-Bis(2-chloroethyl)disulfane.

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

Nasim, Muhammad Jawad published the artcilePronounced activity of aromatic selenocyanates against multidrug resistant ESKAPE bacteria, SDS of cas: 620-20-2, the publication is New Journal of Chemistry (2019), 43(15), 6021-6031, database is CAplus.

Selenocyanates represent an interesting class of organic selenium compounds Due to their similarity with better known natural (iso-)thiocyanates, they promise high biol. activity and may also be metabolized to other reactive selenium species (RSeS), such as selenols, diselenides, and seleninic acids. Thirteen arylmethyl selenocyanates were synthesized and evaluated for potential antimicrobial, nematicidal, and cytotoxic activity. The compounds exhibit pronounced antimicrobial activity against various strains of Gram-pos. and Gram-neg. bacteria and yeasts, including multidrug resistant strains. The results obtained so far demonstrate that these arylmethyl selenocyanates are also non-mutagenic and have limited cytotoxicity against human cells. Here, benzyl selenocyanate represents the most active anti-ESKAPE agent, with potent activity against multidrug resistant MRSA strains (HEMSA 5) with a competitive MIC value of just 0.76 μg/mL (3.88 μM), whereas it exhibits low(er) cytotoxicity (IC₅₀ = 31 μM) and no mutagenicity against mammalian cells. Due to this selective antimicrobial activity, aromatic selenocyanates may provide an interesting lead in the development of antimicrobial agents, particularly in the context of drug resistance.

New Journal of 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, SDS of cas: 620-20-2.

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

Grabarczyk, Malgorzata published the artcileHydroxy lactones with the gem-dimethylcyclohexane system – Synthesis and antimicrobial activity, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Arabian Journal of Chemistry (2019), 12(8), 2280-2288, database is CAplus.

Two new lactones comprising the gem-dimethylcyclohexane ring: 2-chloro-5,5-dimethyl-9-oxabicyclo[4.3.0]nonan-8-one and 2-bromo-5,5-dimethyl-9-oxabicyclo[4.3.0]nonan-8-one as well as the already known 2-iodo-5,5-dimethyl-9-oxabicyclo[4.3.0]nonan-8-one, were obtained from (6,6-dimethylcyclohex-2-en-1-yl)acetic acid. These lactones were used as substrates for the screening of biotransformation by whole cells of nine fungal strains (Fusarium species, Syncephalastrum racemosum and Cunninghamella japonica). Some of these microorganisms (mainly Fusarium species) transformed all three lactones during the hydrolytic dehalogenation into 2-hydroxy-5,5-dimethyl-9-oxabicyclo[4.3.0]nonan-8-one. It is worth noting that two microorganisms (Fusarium culmorum and Fusarium scirpi) converted iodolactone with very high enantioselectivity (75.1% and 91.6%, resp.). The (+) isomer of hydroxy lactone was preferred. At the last step the hydroxy lactone obtained during biotransformation was examined for its biol. activity against bacteria, yeasts and fungi. It was found that this compound inhibits growth of some tested microorganisms.

Arabian Journal of Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

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

Bhhatarai, Barun published the artcileEvaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation, Formula: C6H3ClFNO2, the publication is Chemical Research in Toxicology (2016), 29(5), 810-822, database is CAplus and MEDLINE.

Assessment of ocular irritation is an essential component of any risk assessment. A number of (Q)SARs and expert systems have been developed and are described in the literature. Here, the authors focus on three in silico models (TOPKAT, BfR rulebase implemented in Toxtree, and Derek Nexus) and evaluate their performance using 1644 inhouse and 123 European Center for Toxicol. and Ecotoxicol. of Chems. (ECETOC) compounds with existing in vivo ocular irritation classification data. Overall, the in silico models performed poorly. The best consensus predictions of severe ocular irritants were 52 and 65% for the inhouse and ECETOC compounds, resp. The prediction performance was improved by designing a knowledge-based chem. profiling framework that incorporated physicochem. properties and electrophilic reactivity mechanisms. The utility of the framework was assessed by applying it to the same test sets and three addnl. publicly available in vitro irritation data sets. The prediction of severe ocular irritants was improved to 73-77% if compounds were filtered on the basis of AlogP_MR (hydrophobicity with molar refractivity). The predictivity increased to 74-80% for compounds capable of preferentially undergoing hard electrophilic reactions, such as Schiff base formation and acylation. This research highlights the need for reliable ocular irritation models to be developed that take into account mechanisms of action and individual structural classes. It also demonstrates the value of profiling compounds with respect to their chem. reactivity and physicochem. properties that, in combination with existing models, results in better predictions for severe irritants.

Chemical Research in Toxicology published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Formula: C6H3ClFNO2.

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

Gale, Douglas J. published the artcileFiber-reactive polymethine dyes containing the N-2,3-dibromopropionyl and N-chlorodifluoropyrimidyl groups, COA of Formula: C3H3Br2ClO, the publication is Textile Research Journal (1978), 48(9), 548-50, database is CAplus.

Treatment of 5-amino-1,3,3-trimethyl-2-methyleneindoline [6872-05-5] with 2,3-dibromopropionyl chloride [18791-02-1] or 5-chloro-2,4,6-trifluoropyrimidine [697-83-6] gives I (R = CH₂BrCHBrCO) [68699-06-9] and I (R = A) [68699-07-0], which are treated with 4-(dimethylamino)benzaldehyde [100-10-7], 4-[(2-chloroethyl)methylamino]benzaldehyde [94-31-5], or 1-methyl-2-phenylindole-3-carboxaldehyde [1757-72-8] to give 6 polymethine dyes. The lightfastness of the dyes on wool was significantly greater than that of the corresponding N-chloroacetyl and parent nonreactive dyes. Attempts to prepare the corresponding 2,4-dichloro-s-triazinyl derivative were unsuccessful.

Textile Research Journal published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C3H3Br2ClO, COA of Formula: C3H3Br2ClO.

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