Category: 2447-79-2

Bastos, Gustavo A. published the artcileA convenient Hofmann reaction of carboxamides and cyclic imides mediated by trihaloisocyanuric acids, SDS of cas: 2447-79-2, the publication is Tetrahedron Letters (2021), 153422, database is CAplus.

A simple, efficient and pot-economic approach in a single vessel has been developed for conversion of aromatic and aliphatic carboxamides into primary amines with one fewer carbom atom (Hofmann reaction) in 38-89% yield by reacting with trichloro- or tribromoisocyanuric acid and sodium hydroxide in aqueous acetonitrile. Under the same reaction conditions, cyclic imides gave amino acids (69-83%). The role of the trihaloisocyanuric acids is the in situ generation of N-haloamides, key-intermediates for the Hofmann reaction. The scalability of the methodol. was demonstrated by a multigram-scale transformation of phthalimide into anthranilic acid in 77% yield.

Tetrahedron Letters published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, SDS of cas: 2447-79-2.

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

Chen, Xingmei published the artcileMachine learning-based prediction of toxicity of organic compounds towards fathead minnow, Application In Synthesis of 2447-79-2, the publication is RSC Advances (2020), 10(59), 36174-36180, database is CAplus and MEDLINE.

Predicting the acute toxicity of a large dataset of diverse chems. against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an approx. ratio of 1 : 1. Only six mol. descriptors were used to establish the quant. structure-activity/toxicity relationship (QSAR/QSTR) model for 96 h pLC₅₀ through a support vector machine (SVM) along with genetic algorithm. The optimal SVM model (R² = 0.756) was verified using both internal (leave-one-out cross-validation) and external validations. The validation results (q_int² = 0.699 and q_ext² = 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six mol. descriptors and a large data set for the test set consisting of 481 compounds

RSC Advances published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Application In Synthesis of 2447-79-2.

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

Chen, Chen published the artcileA Convenient Synthetic Method for Trisubstituted s-Triazines, Name: 2,4-Dichlorobenzamide, the publication is Journal of Organic Chemistry (1995), 60(26), 8428-30, database is CAplus.

S-Triazines bearing a variety of substituents at the 1, 3 and 5-positions are obtained in good yields by the condensation of N’-acyl-N,N-dimethylamidines with amidines or guanidines . The N’-acyl-N,N-dimethylamidines are readily prepared from amides and N,N-dimethylformamide di-Me acetal or N,N-dimethylacetamide di-Me acetal .

Journal of Organic Chemistry published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Name: 2,4-Dichlorobenzamide.

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

Karp, Gary M. published the artcile3-(Heterocyclyl)phenyl cyanurates: synthesis and herbicidal activity, Synthetic Route of 2447-79-2, the publication is ACS Symposium Series (2002), 30-40, database is CAplus.

3-(Heterocyclyl)phenyl cyanurates such as I make up a novel class of protoporphyrinogen oxidase (protox) inhibitors which were prepared and evaluated for herbicidal activity. The compounds were primarily postemergence broadleaf compounds The effect of changes in the aryl moiety, the heteroaryl moiety, and in the pendant ester of the cyanurate moiety on the herbicidal activity of the heterocyclylaryl cyanurates was studied.

ACS Symposium Series published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Synthetic Route of 2447-79-2.

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

Tucker, J. A. published the artcileStructure-activity relationships of acyloxyamidine cytomegalovirus DNA polymerase inhibitors, Synthetic Route of 2447-79-2, the publication is Bioorganic & Medicinal Chemistry (2000), 8(3), 601-615, database is CAplus and MEDLINE.

This paper describes the structure-activity relationships of a new class of cytomegalovirus DNA polymerase inhibitors having two aryl groups joined by an acyloxyamidine linker. Examination of a series of analogs in which the terminal groups are varied revealed a very narrow SAR around the 2,4-dichlorophenyl group of the lead compound, but a variety of replacements for the benzothiazole ring are compatible with activity. The most notable of these is the compound with isoxazole ring, which provides a 30-fold enhancement in potency compared to the lead compound We also describe the design, synthesis and evaluation of 10 analogs in which the acyloxyamidine linker is modified or replaced by an isosteric group. Structure-activity relationship studies identified the linker -NH₂group as a critical pharmacophoric element. Ab initio MO calculations combined with qual. estimates of steric interaction energies suggest that the lowest energy conformations of the acyloxyamidine linker are characterized by an extended planar C_Ar-C=N-O-C arrangement and either a syn-periplanar or anti-periplanar N-O-C-C_Ar’ arrangement. Only the anti-periplanar conformation was observed in the crystal structures of three acyloxyamidines. The most active of the linker-modified compounds designed on the basis of these studies is the amidine carbamate compound, which is approx. one-third as potent in the cytomegalovirus DNA polymerase inhibition assay as the comparator acyloxyamidine. The activity of the amidine carbamate compound suggests that acyloxyamidines may bind to the cytomegalovirus DNA polymerase via an anti-periplanar conformation.

Bioorganic & Medicinal Chemistry published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C4Br2N2O4S, Synthetic Route of 2447-79-2.

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

Sledzinski, B. published the artcileStudies on the reaction of dialkyl phosphites with α-chloroacetophenones in the presence of ammonia, COA of Formula: C7H5Cl2NO, the publication is Organika (1979), 1-8, database is CAplus.

An extensive study showed that only RR¹CHCOC₆H₃Cl₂-2,4 (I; R = Br or Cl, R¹ = H, or R = R¹ = Cl) reacted with dialkyl phosphites in the presence of NH₃ to give the corresponding enol phosphates, whose importance as pesticides is steadily increasing. Under the same reaction conditions, I (R = R¹ = Br) yielded a complex mixture of at least 5 products, of which only I (R = Br, R¹ = H) and 2,4-Cl₂C₆H₃CONH₂ were identified. R₃CCOC₆H₃Cl₂-2,4 (R = Br or Cl) produced the corresponding benzamide and haloforms.

Organika published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C13H10O2, COA of Formula: C7H5Cl2NO.

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

Sledzinski, B. published the artcileStudies on the reaction of dialkyl phosphites with α-chloroacetophenones in the presence of ammonia, COA of Formula: C7H5Cl2NO, the publication is Organika (1979), 1-8, database is CAplus.

An extensive study showed that only RR¹CHCOC₆H₃Cl₂-2,4 (I; R = Br or Cl, R¹ = H, or R = R¹ = Cl) reacted with dialkyl phosphites in the presence of NH₃ to give the corresponding enol phosphates, whose importance as pesticides is steadily increasing. Under the same reaction conditions, I (R = R¹ = Br) yielded a complex mixture of at least 5 products, of which only I (R = Br, R¹ = H) and 2,4-Cl₂C₆H₃CONH₂ were identified. R₃CCOC₆H₃Cl₂-2,4 (R = Br or Cl) produced the corresponding benzamide and haloforms.

Organika published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C13H10O2, COA of Formula: C7H5Cl2NO.

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

Tucker, J. A. published the artcileStructure-activity relationships of acyloxyamidine cytomegalovirus DNA polymerase inhibitors, Synthetic Route of 2447-79-2, the publication is Bioorganic & Medicinal Chemistry (2000), 8(3), 601-615, database is CAplus and MEDLINE.

This paper describes the structure-activity relationships of a new class of cytomegalovirus DNA polymerase inhibitors having two aryl groups joined by an acyloxyamidine linker. Examination of a series of analogs in which the terminal groups are varied revealed a very narrow SAR around the 2,4-dichlorophenyl group of the lead compound, but a variety of replacements for the benzothiazole ring are compatible with activity. The most notable of these is the compound with isoxazole ring, which provides a 30-fold enhancement in potency compared to the lead compound We also describe the design, synthesis and evaluation of 10 analogs in which the acyloxyamidine linker is modified or replaced by an isosteric group. Structure-activity relationship studies identified the linker -NH₂group as a critical pharmacophoric element. Ab initio MO calculations combined with qual. estimates of steric interaction energies suggest that the lowest energy conformations of the acyloxyamidine linker are characterized by an extended planar C_Ar-C=N-O-C arrangement and either a syn-periplanar or anti-periplanar N-O-C-C_Ar’ arrangement. Only the anti-periplanar conformation was observed in the crystal structures of three acyloxyamidines. The most active of the linker-modified compounds designed on the basis of these studies is the amidine carbamate compound, which is approx. one-third as potent in the cytomegalovirus DNA polymerase inhibition assay as the comparator acyloxyamidine. The activity of the amidine carbamate compound suggests that acyloxyamidines may bind to the cytomegalovirus DNA polymerase via an anti-periplanar conformation.

Bioorganic & Medicinal Chemistry published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C4Br2N2O4S, Synthetic Route of 2447-79-2.

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