15029-53-5

Basic information

• Product Name: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER
• Synonyms: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid ethyl ester;ethyl 4-(2-cyanoethanoylamino)benzoate;ethyl 4-[(2-cyanoacetyl)amino]benzoate;ethyl 4-[(cyanoacetyl)amino]benzoate
• CAS NO: 15029-53-5
• Molecular Formula: C₁₂H₁₂N₂O₃
• Molecular Weight: 232.24
• Mol File: 15029-53-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 470.6°Cat760mmHg
• Flash Point: 238.4°C
• Appearance: /
• Density: 1.243g/cm³
• Vapor Pressure: 4.98E-09mmHg at 25°C
• Refractive Index: 1.572
• PKA: 4.70±0.10(Predicted)
• CAS DataBase Reference: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(15029-53-5)
• EPA Substance Registry System: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(15029-53-5)

Safety Data

• Hazardous Substances Data: 15029-53-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H12N2O3/c1-2-17-12(16)9-3-5-10(6-4-9)14-11(15)7-8-13/h3-6H,2,7H2,1H3,(H,14,15)

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 94-09-7 p-aminoethylbenzoate 
• 105-34-0 methyl 2-cyanoacetate 
• 36140-83-7 1-cyanoacetyl-3,5-dimethylpyrazole 

Downstream Products

• 89733-21-1 4-(2-Cyano-2-cyclohexylidene-acetylamino)-benzoic acid ethyl ester 
• 287474-37-7 4-{2-Cyano-2-[(Z)-hydroxyimino]-acetylamino}-benzoic acid ethyl ester 
• 83836-32-2 4-(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-benzoic acid ethyl ester 
• 69438-17-1 4-[(2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonyl)-amino]-benzoic acid ethyl ester 
• 111947-24-1 4-(2-oxo-2H-chromene-3-carbonylamino)-benzoic acid ethyl ester 
• 287474-45-7 4-(2-cyano-2-diazo-acetylamino)-benzoic acid ethyl ester 
• 287474-41-3 4-(2-amino-2-cyano-acetylamino)-benzoic acid ethyl ester 

Relevant articles and documents

Synthesis, cytotoxic characterization, and SAR study of imidazo[1,2-b]pyrazole-7-carboxamides

The synthesis and in vitro cytotoxic characteristics of new imidazo[1,2-b]pyrazole-7-carboxamides were investigated. Following a hit-to-lead optimization exploiting 2D and 3D cultures of MCF-7 human breast, 4T1 mammary gland, and HL-60 human promyelocytic leukemia cancer cell lines, a 67-membered library was constructed and the structure–activity relationship (SAR) was determined. Seven synthesized analogues exhibited sub-micromolar activities, from which compound 63 exerted the most significant potency with a remarkable HL-60 sensitivity (IC50 = 0.183 μM).

On thieno compounds. Part IV: 3-aryl-3,4-dihydro-4-oxobenzo[b]thieno[2,3-d]pyrimidines

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