Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (9CI)

Base Information

• Chemical Name: Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (9CI)
• CAS No.: 64451-77-0
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.312
• Mol file: 64451-77-0.mol

Synonyms:Hydratropicacid, p-isopentyl- (7CI); 2-(p-Isopentylphenyl)propionic acid; L 128325

Chemical Property of Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (9CI)

Chemical Property:

• Boiling Point: 125-128 °C(Press: 0.1 Torr)
• PKA: 4.43±0.10(Predicted)
• PSA: 37.30000
• Density: 1.015±0.06 g/cm3(Predicted)
• LogP: 3.46330

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (9CI)

There total 6 articles about Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (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: 91.0%

α-(p-prenylphenyl)propionic acid (73318-89-5,95833-51-5,95833-52-6) → 2-<(4-(3-methylbutyl)phenyl)>propionic acid (64451-77-0)

Guidance literature:

With sodium hydroxide; palladium on activated charcoal; hydrogen; Ambient temperature;

DOI:10.1248/cpb.34.4653

Reference yield:

1-chloro-4-(3-methylbut-2-en-1-yl)benzene (23853-76-1) → 2-<(4-(3-methylbutyl)phenyl)>propionic acid (64451-77-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) magnesium, 1,2-dibromoethane, iodine; 2.) NiCl₂ / 1.) THF, 100-110 deg C, 2 h; 2.) THF r.t., 4.5 h

2: 93 percent / NaOH / ethanol; H₂O / 6 h / Ambient temperature

3: 91 percent / 5percent Pd/C, 0.5N NaOH, hydrogen / Ambient temperature

With sodium hydroxide; palladium on activated charcoal; hydrogen; iodine; magnesium; ethylene dibromide; nickel dichloride; In ethanol; water;

DOI:10.1248/cpb.34.4653

Reference yield:

ethyl 2-<(4-(3-methyl-2-butenyl)phenyl)>propionate (85475-56-5) → 2-<(4-(3-methylbutyl)phenyl)>propionic acid (64451-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / NaOH / ethanol; H₂O / 6 h / Ambient temperature

2: 91 percent / 5percent Pd/C, 0.5N NaOH, hydrogen / Ambient temperature

With sodium hydroxide; palladium on activated charcoal; hydrogen; In ethanol; water;

DOI:10.1248/cpb.34.4653

upstream raw materials:

α-(p-prenylphenyl)propionic acid

1-chloro-4-(3-methylbut-2-en-1-yl)benzene

ethyl 2-<(4-(3-methyl-2-butenyl)phenyl)>propionate

3,3-dimethyl-allyl chloride

Refernces