Tag: M.W=250-300

Futsaeter, Nils published the artcileStudies of hydrogen bonding. XXXI. NMR studies of solute-solute-solvent interaction, Application of Diethyltrichloromethylphosphonate, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (1980), 36A(12), 1083-8, database is CAplus.

The interactions of 2-methyl-6-tert-butylphenol (I) with CHCl₃ and phosphoryl compds, e.g. (Me₂N)₃PO, in cyclohexane, CHCl₃, and CCl₄ solutions were studied by NMR; thermodn. calculations were also reported. H-bonding was proposed; its extent was solvent dependent. The association constant (K) values indicated 1:1 association in all cases. The K values for the association of I with the phosphoryl compounds were less for the CHCl₃ than for the other solutions This change was attributed to the competitive equilibrium between solvent and solute and was discussed and correlated with the proton acceptor or donor property of the solvent.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 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 of Diethyltrichloromethylphosphonate.

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

Roedig, Alfred published the artcilePolyhalogenated bicyclo[4.2.0]octa-1,5,7-trienes. VIII. Synthesis and cyclodimerization of polyhalogenated 2-phenyl- and 2-pentachlorophenyl substituted butenynes, Computed Properties of 866-23-9, the publication is Liebigs Annalen der Chemie (1981), 1674-84, database is CAplus.

Cyclodimerization of phenylbutenynes gave bicyclooctatrienes. Cl₂C:CPhCCCl was prepared by 3 methods from Cl₂C:CPhCHO, which was also converted into Cl₂C:CPhCCBr via Cl₂C:CPhCH:CBr₂. Cl₂C:CPhC:CCl was also prepared by a less suitable route, from PhCOCH:CCl₂. Cl₂C:C(C₆Cl₅)CCCl was prepared in 4 steps from Cl₂C:CPhCHO via perchlorination of Cl₂C:CPhCHClCHCl₂ to Cl₂C:C(C₆Cl₅)CHClCHCl₂ with the Ballester reagent. Cyclodimerization of the chlorobutenynes Cl₂C:CRCCR¹ (R = Ph, R¹ = Cl, Br; R = C₆Cl₅, R¹ = Cl) gave bicyclooctatrienes I. Prolonged heating gave II (R = Ph, R¹ = Cl, Br), but Cl₂C:C(C₆Cl₅)CCCl rearranged into II (R = C₆Cl₅, R¹ = Cl) even in the solid state in several days. Hydrolysis of II gave bicyclotrienediones III.

Liebigs Annalen der Chemie 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, Computed Properties of 866-23-9.

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

Roedig, Alfred published the artcilePolyhalogenated bicyclo[4.2.0]octa-1,5,7-trienes. IX. Synthesis and cyclodimerization of 1,2,4-trichloro-1-phenyl-1-buten-3-yne, Synthetic Route of 866-23-9, the publication is Liebigs Annalen der Chemie (1981), 1685-92, database is CAplus.

(Z)-(I) and (E)-PhCCl:CClCCCl (II) were prepared from (Z)- and (E)-PhCCl:CClCHO, resp., via PhCCl:CClCH:CCl₂ or PhCCl:CClCH(OH)CHCl₂ and PhCCl:CClCH(OSO₂C₆H₄Me-4)CHCl₂. (Z)-PhCCl:CClCCBr was prepared from (Z)-PhCCl:CClCHO via (Z)-PhCCl:CClCH:CBr₂. In preparing (Z)-ClC(C₆Cl₅):CClCCCl, the Ph group in (Z)-PhCCl:CClCHClCHCl₂ was perchlorinated by Ballester reagent to give intermediate (Z)-ClC(C₆Cl₅):CClCHClCHCl₂. I and II dimerized slowly with partial decomposition in boiling hexane. The primary dimer III was unobtainable; only the pyrolysis product IV (Z = Cl₂) was isolated, 7% from I and 40% yield from II. Hydrolyzing IV (Z = Cl₂) gave IV (Z = O).

Liebigs Annalen der Chemie 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, Synthetic Route of 866-23-9.

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

Kang, Tao published the artcileDesign, Synthesis, and SAR of Novel 1,3-Disubstituted Imidazolidine or Hexahydropyrimidine Derivatives as Herbicide Safeners, Related Products of chlorides-buliding-blocks, the publication is Journal of Agricultural and Food Chemistry (2021), 69(1), 45-54, database is CAplus and MEDLINE.

Herbicide safeners enhance herbicide detoxification in crops without reducing their herbicidal efficacy against target weeds. To alleviate maize injury caused by the sulfonylurea herbicide nicosulfuron, a series of 1,3-disubstituted imidazolidine or hexahydropyrimidine derivatives were rationally designed via bioisosterism and active subunit combinations. Thirty novel compounds were synthesized using an efficient one-pot method and low-cost raw materials and characterized by IR, ¹H NMR, ¹³C NMR, and high-resolution mass spectrometer (HRMS). Bioactivity and structure-activity relationship (SAR) were evaluated for herbicide safeners tested against nicosulfuron injury. Most of the compounds effectively protected sensitive maize against nicosulfuron damage. The parent skeletons and substituents of the target compounds both substantially influenced their safener activity. Compound (I) exhibited superior bioactivity compared to the safener isoxadifen-Et. Mol. docking simulations disclosed that compound I competed with nicosulfuron for the acetolactate synthase active site and demonstrated that this is the protective mechanism of safeners. The target compound I presented with strong herbicide safener activity in maize and is, therefore, a potential candidate for the development of a novel herbicide safener.

Journal of Agricultural and Food Chemistry published new progress about 3919-74-2. 3919-74-2 belongs to chlorides-buliding-blocks, auxiliary class Isoxazole,Fluoride,Chloride,Carboxylic acid,Benzene, name is 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, and the molecular formula is C11H7ClFNO3, Related Products of chlorides-buliding-blocks.

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

Wu, Zonghao published the artcileSynthesis of related substance of sorafenib tosylate, HPLC of Formula: 18585-06-3, the publication is Shandong Huagong (2016), 45(2), 37-39, 42, database is CAplus.

To perform the quality control of anticarcinogen drug sorafenib tosylate, five related substanceswere prepared, and their structures were confirmed by ¹H-NMR, ¹³C-NMR and ESI-MS. These substances were Et (4-((2-(methyl-carbamoyl) pyridin-4-yl) oxy) phenyl) carbamate (A), 4-chloro-3-(trifluoromethyl) aniline (B), Et (4-chloro-3-(trifluoromethyl) phenyl) carbamate (C), 1,3-bis(4-chloro-3-(trifluoromethyl) phenyl) urea (D), 4-(4-(3-(3-(trifluoromethyl) phenyl) ureido) phenoxy)-N-Me picolinamide (E).

Shandong Huagong published new progress about 18585-06-3. 18585-06-3 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Amine,Benzene,Amide, name is Ethyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate, and the molecular formula is C6H8O4, HPLC of Formula: 18585-06-3.

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

Polgar, Laszlo published the artcileRetrospective screening of relevant pesticide metabolites in food using liquid chromatography high resolution mass spectrometry and accurate-mass databases of parent molecules and diagnostic fragment ions, Recommanded Product: N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine, the publication is Journal of Chromatography A (2012), 83-91, database is CAplus and MEDLINE.

In recent years, the detection and characterization of relevant pesticide metabolites in food is an important task in order to evaluate their formation, kinetics, stability, and toxicity. In this article, a methodol. for the systematic screening of pesticides and their main metabolites in fruit and vegetable samples is described, using LC-HRMS and accurate-mass database search of parent compounds and their diagnostic fragment ions. The approach is based on (i) search for parent pesticide mols.; (ii) search for their metabolites in the pos. samples, assuming common fragmentation pathways between the metabolites and parent pesticide mols.; and (iii) search for pesticide conjugates using the data from both parent species and diagnostic fragment ions. An accurate-mass database was constructed consisting of 1396 compounds (850 parent compounds, 447 fragment ions and 99 metabolites). The screening process was performed by the software in an automated fashion. The proposed methodol. was evaluated with 29 incurred samples and the output obtained was compared to standard pesticide testing methods (targeted LC-MS/MS). Examples on the application of the proposed approach are shown, including the detection of several pesticide glycosides derivatives, which were found with significantly relevant intensities. Glucose-conjugated forms of parent compounds (e.g., fenhexamid-O-glucoside) and those of metabolites (e.g., despropyl-iprodione-N-glycoside) were detected. Facing the lack of standards for glycosylated pesticides, the study was completed with the synthesis of fenhexamid-O-glucoside for quantification purposes. In some cases the pesticide derivatives were found in a relatively high ratio, drawing the attention to these kinds of metabolites and showing that they should not be neglected in multi-residue methods. The global coverage obtained on the 29 analyzed samples showed the usefulness and benefits of the proposed approach and highlights the practical benefit obtained when the so-called screening methods are used as a complementary tool to standard targeted LC-MS/MS methods.

Journal of Chromatography A published new progress about 67747-01-7. 67747-01-7 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Ether,Benzene Compounds, name is N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine, and the molecular formula is C11H14Cl3NO, Recommanded Product: N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine.

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

Niculescu-Duvaz, Dan published the artcilePyridoimidazolones as Novel Potent Inhibitors of v-Raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF), SDS of cas: 32333-53-2, the publication is Journal of Medicinal Chemistry (2009), 52(8), 2255-2264, database is CAplus and MEDLINE.

BRAF is a serine/threonine kinase that is mutated in a range of cancers, including 50-70% of melanomas, and has been validated as a therapeutic target. The authors have designed and synthesized mutant BRAF inhibitors containing pyridoimidazolone as a new hinge-binding scaffold. Compounds have been obtained which have low nanomolar potency for mutant BRAF (12 nM for compound I) and low micromolar cellular potency against a mutant BRAF melanoma cell line, WM266.4. The series benefits from very low metabolism, and pharmacokinetics (PK) that can be modulated by methylation of the NH groups of the imidazolone, resulting in compounds with fewer H-donors and a better PK profile. These compounds have great potential in the treatment of mutant BRAF melanomas.

Journal of Medicinal Chemistry published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, SDS of cas: 32333-53-2.

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

Niculescu-Duvaz, Dan published the artcilePyridoimidazolones as Novel Potent Inhibitors of v-Raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF). [Erratum to document cited in CA150:472622], Recommanded Product: 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, the publication is Journal of Medicinal Chemistry (2009), 52(18), 5770, database is CAplus.

On page 2256, the authors have been notified by Plexxikon that the structure of PLX4032, published in Expert Opin. Ther. Targets 2007, 11, (12), 1587-1609 (Figure 4) in Figure 1, was incorrect and the correct one has not been released.

Journal of Medicinal Chemistry published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, Recommanded Product: 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride.

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

Whitfield, Robert E. published the artcileFlame-resistant wool. IV. Chemical modification of wool with haloorganic acid halides, Application of 2,3-Dibromopropionylchloride, the publication is Textile Research Journal (1972), 42(9), 533-5, database is CAplus.

The flame resistance of wool fabrics was increased by treatment with aliphatic haloorganic acid halides, e.g. trichloroacetyl chloride [76-02-8] and 2-bromopropionyl bromide [563-76-8], in DMF for 15-30 min at 50°; both Cl and Br derivatives were effective. At least 2% combined halogen was necessary to protect woolen fabrics. The flame resistance was durable to drycleaning and laundering. Prior stabilization of the fabric to felting shrinkage was needed to evaluate durability of flame resistance to laundering.

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 C10H12O5, Application of 2,3-Dibromopropionylchloride.

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

Gramstad, T. published the artcileHydrogen bonding. XIV. Hydrogen bonding of indole to phosphoryl compounds, HPLC of Formula: 866-23-9, the publication is Spectrochimica Acta (1965), 21(3), 503-9, database is CAplus.

cf. ibid. 343; CA 61, 8169h. The K_ass, ΔF, ΔH, ΔS, and ν_1/2 values were determined for the H bond association between indole and 15 organophosphorus compounds. The relation between H bonding ability and Δν_XH for various proton donors with organophosphorus compounds is discussed.

Spectrochimica Acta 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, HPLC of Formula: 866-23-9.

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