736-40-3

Basic information

• Product Name: 4-(Benzoylamino)benzoic acid ethyl ester
• Synonyms: 4-(Benzoylamino)benzoic acid ethyl ester;Ethyl 4-benzamidobenzoate
• CAS NO: 736-40-3
• Molecular Formula: C₁₆H₁₅NO₃
• Molecular Weight: 269.32
• Mol File: 736-40-3.mol
• Article Data: 36

Chemical Properties

• Boiling Point: 341.7°C at 760 mmHg
• Flash Point: 160.4°C
• Appearance: /
• Density: 1.209g/cm³
• Vapor Pressure: 7.92E-05mmHg at 25°C
• Refractive Index: 1.61
• CAS DataBase Reference: 4-(Benzoylamino)benzoic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Benzoylamino)benzoic acid ethyl ester(736-40-3)
• EPA Substance Registry System: 4-(Benzoylamino)benzoic acid ethyl ester(736-40-3)

Safety Data

• Hazardous Substances Data: 736-40-3(Hazardous Substances Data)

Usage

Uses

Agricultural chemical.

Hazard

Moderately toxic by ingestion.

InChI:InChI=1/C16H15NO3/c1-2-20-16(19)13-8-10-14(11-9-13)17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)

Upstream product

• 3262-89-3 triphenylboroxine 
• 30806-83-8 p-ethoxycarbonylphenyl isocyanate 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 55-21-0 benzamide 
• 65-85-0 benzoic acid 
• 94-09-7 p-aminoethylbenzoate 
• 98-91-9 thiobenzoic acid 
• 7476-79-1 4-nitrosobenzoic acid ethyl ester 
• 611-73-4 Benzoylformic acid 
• 93-58-3 benzoic acid methyl ester 
• 101137-69-3 tert-butyl benzoyl(phenyl)carbamate 
• 150-13-0 4-amino-benzoic acid 
• 64-17-5 ethanol 
• 68688-78-8 N-(4-carbamoylphenyl)benzamide 

Downstream Products

• 1258550-43-4 4-benzamido-N-(3-nitro-4-(2-(phenylthio)ethylamino)phenylsulfonyl)benzamide 
• 582-80-9 p-benzamidobenzoic acid 
• 19989-70-9 ethyl 2-phenylbenzo[d]thiazole-6-carboxylate 
• 893657-12-0 N-{4-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide 
• 1608151-10-5 N-{4-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]phenyl}benzamide 
• 1608151-04-7 N-(4-{5-[(1,4-benzodioxan-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl}phenyl)benzamide 
• 1608151-05-8 N-(4-{5-[(1,4-benzodioxan-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl}phenyl)benzamide 
• 1608151-12-7 C₃₀H₂₀N₆O₄S 
• 885886-44-2 N-[4-(5-sulfanyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide 
• 360559-34-8 4-[5-(2,4-dichloro-benzylsulfanyl)-4-phenyl-4H-[1,2,4]triazol-3-yl]-phenylamine 

Relevant articles and documents

Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents

To discover antifungal compounds with broad-spectrum and stable metabolism, a series of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives was designed and synthesized. Compounds A30-A34 exhibited excellent broad-spectrum antifungal activity against Candida albicans with MIC values in the range of 0.03–0.5 μg/mL, and against Cryptococcus neoformans and Aspergillus fumigatus with MIC values in the range of 0.25–2 μg/mL. In addition, compounds A31 and A33 showed high metabolic stability in human liver microsomes in vitro, with the half-life of 80.5 min and 69.4 min, respectively. Moreover, compounds A31 and A33 showed weak or almost no inhibitory effect on the CYP3A4 and CYP2D6. The pharmacokinetic evaluation in SD rats showed that compound A31 had suitable pharmacokinetic properties and was worthy of further study.

Decarboxylative/Oxidative Amidation of Aryl α-Ketocarboxylic Acids with Nitroarenes and Nitroso Compounds in Aqueous Medium

The decarboxylative/oxidative amidation of aryl α-ketocarboxylic acids with 5-aryl-3-nitroisoxazole-4-carboxylates and substituted dinitrobenzenes under oxidative aqueous conditions to afford N-aryl amides is described. The reaction is suggested to proceed via a radical pathway in which a benzoyl nitroxyl radical, the key intermediate formed from reaction between nitroarene and benzoyl radical from glyoxalic acid, couples with hydroxyl radical from water to produce amide. Mechanistic insight allowed the scope of the strategy to be expanded to the synthesis of amides via reaction between aryl α-ketocarboxylic acids and nitroso compounds.

3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) catalysed metal-free amide bond formation from thioacids and amines at room temperature

A 3,6-di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) catalysed efficient, mild and metal-free method has been developed for direct amide bond synthesis from simple thioacids and amines as starting materials. This methodology is useful for aromatic, aliphatic, and heteroaromatic thioacids as well as primary, secondary, heterocyclic, and even functionalized amines. A wide substrates scope, operationally mild conditions, and acylation of amines without affecting other functional groups such as alcohols, esters, carbodithioates, among others make this strategy very attractive and practical.