β-Butylbenzenepropanoic acid

Base Information

• Chemical Name: β-Butylbenzenepropanoic acid
• CAS No.: 5638-30-2
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• Mol file: 5638-30-2.mol

Synonyms:Hydrocinnamicacid, b-butyl- (6CI,7CI,8CI);3-Phenylheptanoic acid; Heptanoic acid, 3-phenyl-

Chemical Property of β-Butylbenzenepropanoic acid

Chemical Property:

• Boiling Point: 90 °C (0.1 mmHg)
• PSA: 37.30000
• LogP: 3.43510

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of β-Butylbenzenepropanoic acid

There total 17 articles about β-Butylbenzenepropanoic acid 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: 71.0%

(1-Phenylpentyl)propanedioic acid (220629-77-6) → acide 3-phenyl-heptanoique (5638-30-2)

Guidance literature:

at 190 - 200 ℃; for 0.333333h;

Reference yield: 60.0%

butyl magnesium bromide (693-04-9) + Cinnamic acid (621-82-9) → acide 3-phenyl-heptanoique (5638-30-2)

Guidance literature:

With methyllithium; In tetrahydrofuran; diethyl ether; at -15 ℃; for 1.5h;

DOI:10.1246/cl.2007.736

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + (E)-3-phenylacrylic acid (140-10-3) → acide 3-phenyl-heptanoique (5638-30-2) + acide 2-benzyl-hexanoique (5668-19-9)

Guidance literature:

With water; In tetrahydrofuran; at -70 ℃; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

methyl 5-phenylcyclohexane-1,3-dione

1,1-Dichloroethylene

1-phenyl-1-chloropentane

DL-ethyl-3-hydroxy-3-phenyl heptanoate

Downstream raw materials:

2-Phenylhexanaldimethylacetal

3-Phenyl-1-heptanol

2-Diazo-5-phenylnonan-3-one

3-Phenylheptanoyl chloride

Refernces

• 1、 Yun, Jaesook,Buchwald, Stephen L.. "Efficient kinetic resolution in the asymmetric hydrosilylation of imines of 3-substituted indanones and 4-substituted tetralones". . p. 767 - 774. Retrieved 2007/10/03.
• 2、 Plunian, Barbara,Vaultier, Michel,Mortier, Jacques. "Directed conjugate addition of organolithium reagents to α,β-unsaturated carboxylic acids". . p. 81 - 82. Retrieved 2007/10/03.