2-Succinylbenzoate

Base Information

• Chemical Name: 2-Succinylbenzoate
• CAS No.: 27415-09-4
• Molecular Formula: C11H10 O5
• Molecular Weight: 222.197
• UNII: XX4Y7I0FTT
• DSSTox Substance ID: DTXSID10181839
• Nikkaji Number: J387.833C
• Wikidata: Q27093288
• Metabolomics Workbench ID: 52394
• Mol file: 27415-09-4.mol

Synonyms:2-succinylbenzoate;4-(2'-carboxyphenyl)-4-oxobutyric acid;o-succinylbenzoate;o-succinylbenzoic acid

Chemical Property of 2-Succinylbenzoate

Chemical Property:

• Vapor Pressure: 2.82E-10mmHg at 25°C
• Boiling Point: 486.5°Cat760mmHg
• Flash Point: 262.1°C
• PSA: 91.67000
• Density: 1.378g/cm³
• LogP: 1.43230
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 222.05282342
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)CCC(=O)O)C(=O)O

Technology Process of 2-Succinylbenzoate

There total 9 articles about 2-Succinylbenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

6-hydroxy-2-succinyl-2,4-cyclohexadiene-1-carboxylic acid → 4-(2'-carboxyphenyl)-4-oxobutanoic acid (27415-09-4) + succinylbenzene (2051-95-8)

Guidance literature:

With phosphate buffer; o-succinylbenzoate synthase; at 25 ℃; pH=8.0; Kinetics; Enzyme kinetics;

DOI:10.1021/ja010882h

Reference yield:

C11H11(2)HO6 → 4-(2'-carboxyphenyl)-4-oxobutanoic acid (27415-09-4) + succinylbenzene (2051-95-8)

Guidance literature:

With phosphate buffer; o-succinylbenzoate synthase; at 25 ℃; pH=8.0; Kinetics; Enzyme kinetics;

DOI:10.1021/ja010882h

Reference yield:

6,7-dihydro-5H-benzocyclohepten-5-one (52092-30-5) → 4-(2'-carboxyphenyl)-4-oxobutanoic acid (27415-09-4)

Guidance literature:

With dichloromethane; Ozonolyse;

DOI:10.1021/ja01562a052

upstream raw materials:

spiro<(2-oxo-tetrahydrofuran)-5,3'-(1'-oxo-benzofuran)>

6,7-dihydro-5H-benzocyclohepten-5-one

C₃₂H₄₄N₇O₂₀P₃S

water

Downstream raw materials:

4-(2-methoxycarbonyl-phenyl)-4-oxo-butyric acid methyl ester

4-(2-carboxyphenyl)-4-hydroxybutanoic acid

C₃₂H₄₄N₇O₂₀P₃S

4-(2'-[methoxycarbonyl]phenyl)-4-oxobutanoic acid

Refernces

• 1、 Simantiras, Michalis,Schmidt, Karsten,Leistner, Eckhard. "4-(2'-CARBOXYPHENYL)-4-OXOBUTYRATE: PREPARATIVE ISOLATION FROM ANTHRAQUINONE PRODUCING CELL SUSPENSION CULTURES OF GALIUM MOLLUGO". . p. 823 - 824. Retrieved 2007/10/02.