methyl 4-cyclohexylbutanoate

Base Information

• Chemical Name: methyl 4-cyclohexylbutanoate
• CAS No.: 15972-01-7
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916209090
• Mol file: 15972-01-7.mol

Synonyms:Cyclohexanebutyric acid, methyl ester (8CI); NSC 71464

Chemical Property of methyl 4-cyclohexylbutanoate

Chemical Property:

• Vapor Pressure: 0.0599mmHg at 25°C
• Boiling Point: 232.2°Cat760mmHg
• Flash Point: 89.6°C
• PSA: 26.30000
• Density: 0.935g/cm³
• LogP: 2.91000

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of methyl 4-cyclohexylbutanoate

There total 6 articles about methyl 4-cyclohexylbutanoate 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: 97.0%

methanol (67-56-1) + 4-cyclohexylbutanoic acid (4441-63-8) → 4-cyclohexylbutyric acid methyl ester (15972-01-7)

Guidance literature:

With iron(III) sulfate; sulfuric acid; for 5h; Heating;

Reference yield:

methanol (67-56-1) + carbon monoxide (201230-82-2) + allylcyclohexane (2114-42-3) → 3-cyclohexyl-2-methyl-propionic acid methyl ester (54899-45-5) + 4-cyclohexylbutyric acid methyl ester (15972-01-7)

Guidance literature:

With P(p-CH₃OC₆H₄)3; lithium chloride; tin(ll) chloride; palladium dichloride; In 1,2-dimethoxyethane; at 110 ℃; for 22h; under 18100.7 Torr; Reagent/catalyst; Overall yield = 86 %; regioselective reaction; Autoclave;

DOI:10.1021/acs.joc.5b00851

Reference yield:

4-oxo-hex-5-enoic acid methyl ester (23684-13-1) → 4-cyclohexylbutyric acid methyl ester (15972-01-7)

Guidance literature:

Multi-step reaction with 4 steps

1: benzene-1,4-diol / benzene / 140 - 150 °C

2: KOH, N₂H₄*H₂O / bis-(2-hydroxy-ethyl) ether

4: H₂ / Pd-CaCO₃

With potassium hydroxide; hydrogen; hydrazine hydrate; hydroquinone; Lindlar's catalyst; In diethylene glycol; benzene;

upstream raw materials:

4-cyclohex-3-enyl-butyric acid methyl ester

methanol

4-cyclohexylbutanoic acid

4-oxo-hex-5-enoic acid methyl ester

Downstream raw materials:

4-cyclohexylbutanoic acid

2-carbomethoxy-4-cyclohexyl-1,1-bis(methyl sulfanyl)but-1-ene

Refernces

• 1、 Liang, Yong-Min,Xu, Qi-Hai,Wu, Xiao-Li,Ma, Yong-Xiang. "Fe2(SO4)3·4H 2O/concentrated H2SO4: An efficient catalyst for esterification". . p. 226 - 227. Retrieved 2007/10/03.