97226-61-4

Basic information

• Product Name: 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester
• Synonyms: 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester
• CAS NO: 97226-61-4
• Molecular Formula: C₃₂H₄₄N₇O₂₀P₃S
• Molecular Weight: 971.71
• Mol File: 97226-61-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.82g/cm³
• Refractive Index: 1.713
• CAS DataBase Reference: 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester(97226-61-4)
• EPA Substance Registry System: 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ester(97226-61-4)

Safety Data

• Hazardous Substances Data: 97226-61-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C32H44N7O20P3S/c1-32(2,26(44)29(45)35-10-9-21(41)34-11-12-63-22(42)8-7-19(40)17-5-3-4-6-18(17)31(46)47)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(43)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,43-44H,7-14H2,1-2H3,(H,34,41)(H,35,45)(H,46,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)

Upstream product

• 27415-09-4 4-(2'-carboxyphenyl)-4-oxobutanoic acid 
• 900498-43-3 coenzyme A 

Downstream Products

• 54103-08-1 4-(2-methoxycarbonyl-phenyl)-4-oxo-butyric acid methyl ester 
• 27415-09-4 4-(2'-carboxyphenyl)-4-oxobutanoic acid 
• 31519-22-9 1,4-dihydroxy-2-naphthoic acid 

Relevant articles and documents

4-(2'-CARBOXYPHENYL)-4-OXOBUTYRATE: PREPARATIVE ISOLATION FROM ANTHRAQUINONE PRODUCING CELL SUSPENSION CULTURES OF GALIUM MOLLUGO

4-(2'-carboxyphenyl)-4-oxobutyrate(o-succinylbenzoic acid) was isolated from anthraquinone producing plant cell suspension cultures of gallium mollugo.