179386-76-6

Basic information

• Product Name: 1-(1H-benzotriazol-1-yl)-3-phenylpropan-1-one
• Synonyms: 1-(1H-benzotriazol-1-yl)-3-phenylpropan-1-one
• CAS NO: 179386-76-6
• Molecular Weight: 251.288
• Mol File: 179386-76-6.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: 1-(1H-benzotriazol-1-yl)-3-phenylpropan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1H-benzotriazol-1-yl)-3-phenylpropan-1-one(179386-76-6)
• EPA Substance Registry System: 1-(1H-benzotriazol-1-yl)-3-phenylpropan-1-one(179386-76-6)

Safety Data

• Hazardous Substances Data: 179386-76-6(Hazardous Substances Data)

Upstream product

• 95-14-7 1,2,3-Benzotriazole 
• 501-52-0 3-Phenylpropionic acid 
• 37073-15-7 1-(methanesulfonyl)-1H-1,2,3-benzotriazole 
• 645-45-4 hydrocinnamic acid chloride 

Downstream Products

• 71231-25-9 N-(4-methylphenyl)-3-phenylpropanamide 
• 10264-10-5 N-benzyl-3-phenylpropanamide 
• 43125-06-0 1-cyclohexyl-3-phenyl-1-propanone 
• 1387596-07-7 1-(1H-benzo[d][1,2,3]triazol-1-yl)hexan-2-yl 3-phenylpropanoate 
• 133535-77-0 3-phenylthiopropionic acid S-benzyl ester 
• 28049-10-7 3-phenylpropionic acid 2-phenylethyl ester 
• 726-26-1 phenyl 3-phenylpropanoate 
• 10264-31-0 N-phenethyl-3-phenylpropanamide 
• 21888-31-3 3-phenyl-2-(3-phenylpropionylamino)propionic acid methyl ester 
• 14914-99-9 cholesteryl β-phenylpropionate 

Relevant articles and documents

Discovery of the first Mycobacterium tuberculosis MabA (FabG1) inhibitors through a fragment-based screening

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.

Microwave-assisted regiospecific synthesis of pseudohalohydrin esters

N-Acylbenzotriazoles react regiospecifically with epoxides under palladium catalysis to give novel -(benzotriazol-1-yl)ethyl esters (52-87%) constituting halohydrin ester surrogates. Georg Thieme Verlag Stuttgart · New York.

Mechanistic studies of DCC/HOBt-mediated reaction of 3-phenylpropionic acid with benzyl alcohol and studies on the reactivities of 'active ester' and the related derivatives with nucleophiles

Despite of the extensive study for peptide synthesis, DCC-mediated esterification is left still unclear. Therefore, DCC- and DCC/HOBt-mediated reactions of 3-phenylpropionic acid (1) with benzyl alcohol were carried out under several mechanistic considerations. Further, in order to determine the reactivities of the so-called 'active esters' compounds changing the substituents bearing carbonyl and related derivatives group for the purpose of the development of new class of non-symmetry cross-linkers, we have studied the reaction of model compounds, N-(3-phenylpropionyloxy)benzotriazole (6), N-(3-phenylpropionyloxy)phthalimide (7), 3-phenylpropionyloxybenzothiazole (8), and N-(3-phenylpropionyl)benzotriazole (9) with various nucleophiles under similar conditions were carried out for the comparison. It was revealed to exhibit the order of 6>>8>9>7.