10004-42-9

Basic information

• Product Name: Oxazole, 4-(4-nitrophenyl)-2-phenyl-
• CAS NO: 10004-42-9
• Molecular Formula: C15H10N2O3
• Molecular Weight: 266.256
• Mol File: 10004-42-9.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Oxazole, 4-(4-nitrophenyl)-2-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Oxazole, 4-(4-nitrophenyl)-2-phenyl-(10004-42-9)
• EPA Substance Registry System: Oxazole, 4-(4-nitrophenyl)-2-phenyl-(10004-42-9)

Safety Data

• Hazardous Substances Data: 10004-42-9(Hazardous Substances Data)

Upstream product

• 55-21-0 benzamide 
• 100-19-6 (4-nitrophenyl)ethanone 
• 937-31-5 (4-Nitrophenyl)acetylene 
• 5847-54-1 dibutyltin dibenzoate 
• 13382-61-1 4-(4-nitrophenyl)oxazole 
• 591-50-4 iodobenzene 
• 99-81-0 4-Nitrophenacyl bromide 
• 100-27-6 2-(4-nitrophenyl)ethanol 
• 100-47-0 benzonitrile 

Downstream Products

• 1200404-73-4 2-chloro-N-(4-(2-phenyloxazol-4-yl)phenyl)benzamide 
• 1200404-25-6 4-(2-phenyloxazol-4-yl)benzenamine 
• 1200404-26-7 2,4-dichloro-N-(4-(2-phenyloxazol-4-yl)phenyl)benzamide 

Relevant articles and documents

METHOD FOR PRODUCING IODOOXAZOLE COMPOUND, AND METHOD FOR PRODUCING OXAZOLE COMPOUND

PROBLEM TO BE SOLVED: To produce an iodooxazole compound inexpensively and safely without using oxidizing agents. SOLUTION: On the basis of the following chemical formula (1) an iminoether compound and an iodinating agent are mixed and reacted with each other with light irradiation, to produce an iodooxazole compound. In the formula (1), R1, R2 each denote an aromatic group. SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

Photochemical Transformation of O-(β-Arylethyl) Arylimidates into 2,4-Diaryl-5-iodoxazoles with 1,3-Diiodo-5,5-dimethylhydantoin

Treatment of O-(β-arylethyl) arylimidates with 1,3-diiodo-5,5-dimethylhydantoin (DIH) under irradiation with a tungsten lamp in 1,2-dichloroethane gave the corresponding 2,4-diaryl-5-iodoxazoles and 2,4-diaryloxazoles in good to moderate yields, respectively, depending on the aryl group. It was proposed that the reactions proceeded through the formation of N-iodoimidates by the reaction of O-(β-arylethyl) arylimidates with DIH, followed by the formation of iminyl radicals via homolytic N–I bond cleavage, the 1,5-H shift by the iminyl radicals, the C–I bond formation of the formed carbon-centered radicals with iodine, the nucleophilic cyclization by the imino groups to form 2,4-diaryloxazolines, the oxidation of the formed 2,4-diaryloxazolines to 2,4-diaryloxazoles, and the iodination of the formed 2,4-diaryloxazoles to 2,4-diaryl-5-iodoxazoles with DIH.

Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit

A bis-amide antagonist of Smoothened, a seven-transmembrane receptor in the Hedgehog signaling pathway, was discovered via high throughput screening. In vitro and in vivo experiments demonstrated that the bis-amide was susceptible to N-acyl transferase mediated amide scission. Several bioisosteric replacements of the labile amide that maintained in vitro potency were identified and shown to be metabolically stable in vitro and in vivo.