Benzenepentanoic acid, 4-(methoxycarbonyl)- (9CI)

Base Information

• Chemical Name: Benzenepentanoic acid, 4-(methoxycarbonyl)- (9CI)
• CAS No.: 863767-87-7
• Molecular Formula: C13H16 O4
• Molecular Weight: 236.268
• Mol file: 863767-87-7.mol

Synonyms:5-[4-(Methoxycarbonyl)phenyl]valericacid

Chemical Property of Benzenepentanoic acid, 4-(methoxycarbonyl)- (9CI)

Chemical Property:

• PSA: 63.60000
• LogP: 2.27060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepentanoic acid, 4-(methoxycarbonyl)- (9CI)

There total 2 articles about Benzenepentanoic acid, 4-(methoxycarbonyl)- (9CI) 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: 100.0%

(4E/Z)-5-[4-(methoxycarbonyl)phenyl]pent-4-enoic acid (863767-86-6) → 5-[4-(methoxycarbonyl)phenyl]pentanoic acid (863767-87-7)

Guidance literature:

(4E/Z)-5-[4-(methoxycarbonyl)phenyl]pent-4-enoic acid; With palladium 10% on activated carbon; hydrogen; under 2844.39 Torr;

under 2844.39 Torr;

DOI:10.1021/jm8003366

Reference yield:

(3-carboxypropyl)(triphenyl)phosphonium bromide (17857-14-6) → 5-[4-(methoxycarbonyl)phenyl]pentanoic acid (863767-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / NaH / dimethylsulfoxide; tetrahydrofuran / 6.5 h / 0 - 20 °C

2: 98 percent / H₂ / Pd/C / CHCl₃; ethyl acetate / 2327.17 - 2585.74 Torr

With hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; chloroform; dimethyl sulfoxide; ethyl acetate; 1: Wittig reaction;

DOI:10.1021/jm058213s

Reference yield:

5-[4-(methoxycarbonyl)phenyl]pentanoic acid (863767-87-7) → 4-(4-chlorocarbonyl-butyl)-benzoic acid methyl ester (1026793-20-3)

Guidance literature:

With oxalyl dichloride; In dichloromethane; for 1h; Heating;

DOI:10.1021/jm058213s

upstream raw materials:

(4E/Z)-5-[4-(methoxycarbonyl)phenyl]pent-4-enoic acid

(3-carboxypropyl)(triphenyl)phosphonium bromide

Downstream raw materials:

4-(4-chlorocarbonyl-butyl)-benzoic acid methyl ester

chloromethyl (4'-carbomethoxyphenyl)butyl ketone

methyl 4-[4-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)butyl]benzoate

methyl 4-[4-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoate