253677-29-1 Usage
Description
2-TERT-BUTOXYCARBONYLAMINO-5-CHLORO-BENZOIC ACID is a chemical compound with the molecular formula C14H17ClNO4, belonging to the benzoic acid derivatives. It features a tert-butoxycarbonyl (Boc) protecting group and a chloro group on the benzene ring, which provides stability and protection to the amine group. 2-TERT-BUTOXYCARBONYLAMINO-5-CHLORO-BENZOIC ACID is instrumental in the synthesis of pharmaceuticals and serves as a building block in organic chemistry, playing a crucial role in the production of biologically active compounds and organic chemicals.
Uses
Used in Pharmaceutical Synthesis:
2-TERT-BUTOXYCARBONYLAMINO-5-CHLORO-BENZOIC ACID is used as a building block for the synthesis of various pharmaceuticals due to its unique structure and functional groups. The Boc protecting group and chloro group on the benzene ring facilitate the production of specific amino acid derivatives and peptide synthesis, contributing to the development of new drugs.
Used in Organic Chemistry Reactions:
In the field of organic chemistry, 2-TERT-BUTOXYCARBONYLAMINO-5-CHLORO-BENZOIC ACID is used as a key intermediate in various chemical reactions. Its presence allows for the formation of different organic compounds through substitution, addition, or other reaction mechanisms, expanding the scope of organic synthesis.
Used in Agrochemical Production:
2-TERT-BUTOXYCARBONYLAMINO-5-CHLORO-BENZOIC ACID is used as an intermediate in the synthesis of agrochemicals. The chloro group on the benzene ring provides potential for further functionalization, enabling the development of new agrochemicals with improved properties and effectiveness in crop protection.
Overall, 2-TERT-BUTOXYCARBONYLAMINO-5-CHLORO-BENZOIC ACID is a versatile chemical compound with applications in pharmaceutical synthesis, organic chemistry reactions, and agrochemical production, making it an essential component in the development of various biologically active compounds and organic chemicals.
Check Digit Verification of cas no
The CAS Registry Mumber 253677-29-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,3,6,7 and 7 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 253677-29:
(8*2)+(7*5)+(6*3)+(5*6)+(4*7)+(3*7)+(2*2)+(1*9)=161
161 % 10 = 1
So 253677-29-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H14ClNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
253677-29-1Relevant articles and documents
Discovery of the first Mycobacterium tuberculosis MabA (FabG1) inhibitors through a fragment-based screening
Baulard, Alain R.,Biela, Alexandre,Blaise, Mickael,Bourbiaux, Kevin,Cantrelle, Francois-Xavier,Djaout, Kamel,Flipo, Marion,Frita, Rosangela,Hanoulle, Xavier,Herledan, Adrien,Kremer, Laurent,Leroux, Florence,Moune, Martin,Pintiala, Catalin,Piveteau, Catherine,Tanina, Abdalkarim,Vandeputte, Alexandre,Willand, Nicolas,Déprez, Benoit,Fa?on, Léo,Wintjens, René
, (2020/06/05)
Mycobacterium tuberculosis (M.tb), the etiologic agent of tuberculosis, remains the leading cause of death from a single infectious agent worldwide. The emergence of drug-resistant M.tb strains stresses the need for drugs acting on new targets. Mycolic acids are very long chain fatty acids playing an essential role in the architecture and permeability of the mycobacterial cell wall. Their biosynthesis involves two fatty acid synthase (FAS) systems. Among the four enzymes (MabA, HadAB/BC, InhA and KasA/B) of the FAS-II cycle, MabA (FabG1) remains the only one for which specific inhibitors have not been reported yet. The development of a new LC-MS/MS based enzymatic assay allowed the screening of a 1280 fragment-library and led to the discovery of the first small molecules that inhibit MabA activity. A fragment from the anthranilic acid series was optimized into more potent inhibitors and their binding to MabA was confirmed by 19F ligand-observed NMR experiments.
Synthesis of a quinolone library from ynones
Ward, Timothy R.,Turunen, Brandon J.,Haack, Torsten,Neuenswander, Benjamin,Shadrick, William,Georg, Gunda I.
experimental part, p. 6494 - 6497 (2011/02/24)
A library of 72 quinolones was synthesized from substituted anthranilic acids, using ynone intermediates. These masked β-dicarbonyl synthons allowed cyclization under milder conditions than previously reported quinolone syntheses.
