4-Chlorobenzoic acid, 3-methylbutyl ester

Base Information

• Chemical Name: 4-Chlorobenzoic acid, 3-methylbutyl ester
• CAS No.: 6942-75-2
• Molecular Formula: C12H15 Cl O2
• Molecular Weight: 226.703
• Hs Code.: 2916399090
• Mol file: 6942-75-2.mol

Synonyms:Benzoicacid, p-chloro-, isopentyl ester (7CI,8CI); Isopentyl alcohol, p-chlorobenzoate(8CI); 3-Methylbutyl p-chlorobenzoate; NSC 57307

Chemical Property of 4-Chlorobenzoic acid, 3-methylbutyl ester

Chemical Property:

• Vapor Pressure: 0.00277mmHg at 25°C
• Boiling Point: 285.6°C at 760 mmHg
• Flash Point: 131.3°C
• PSA: 26.30000
• Density: 1.102g/cm³
• LogP: 3.54290

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chlorobenzoic acid, 3-methylbutyl ester

There total 4 articles about 4-Chlorobenzoic acid, 3-methylbutyl ester 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: 51.0%

i-Amyl alcohol (123-51-3) + carbon monoxide (201230-82-2) + 4-chlorophenylboronic acid pinacol ester (195062-61-4) → 3-methylbutyl 4-chlorobenzoate (6942-75-2)

Guidance literature:

With palladium diacetate; triphenylphosphine; p-benzoquinone; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/adsc.200900836

Reference yield: 20.0%

Grushin’s reagent (1680206-12-5) + C13H15ClO3 → 3-methylbutyl 4-chlorobenzoate (6942-75-2) + 3-methylbut-3-en-1-yl 4-chlorobenzoate

Guidance literature:

With triethylsilane; dipotassium peroxodisulfate; In water; acetone; at 20 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03012

Reference yield:

i-Amyl alcohol (123-51-3) + 4-chloro-benzoyl chloride (122-01-0) → 3-methylbutyl 4-chlorobenzoate (6942-75-2)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jacs.7b03539

upstream raw materials:

i-Amyl alcohol

carbon monoxide

4-chlorophenylboronic acid pinacol ester

4-chloro-benzoyl chloride

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