2-Butylcaproic acid methyl ester

Base Information

• Chemical Name: 2-Butylcaproic acid methyl ester
• CAS No.: 24551-95-9
• Molecular Formula: C11H22O2
• Molecular Weight: 186.294
• Hs Code.: 2915900090
• Mol file: 24551-95-9.mol

Synonyms:Di-n-butyl-essigsaeure-methylester;2-butyl-hexanoic acid methyl ester;Hexanoic acid,2-butyl-,methyl ester;Methyl-2-butylhexanoate;2-Butyl-hexansaeure-methylester;

Chemical Property of 2-Butylcaproic acid methyl ester

Chemical Property:

• Boiling Point: 206 °C
• PSA: 26.30000
• Density: 0.870±0.06 g/cm3(Predicted)
• LogP: 3.15600

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Butylcaproic acid methyl ester

There total 1 articles about 2-Butylcaproic acid methyl 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: 84.0%

methanol (67-56-1) + ethyl 2-acetyl-2-butylhexanoate (55501-16-1) → methyl 2-butylhexanoate (24551-95-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

Reference yield:

methyl 2-butylhexanoate (24551-95-9) → 2-butylhexan-1-ol (2768-15-2)

Guidance literature:

With lithium aluminium tetrahydride;

Reference yield:

methyl 2-butylhexanoate (24551-95-9) → 2-butyl-2-(4-methoxybenzyl)-N-(quinolin-8-yl)hexanamide (1534433-41-4)

Guidance literature:

Multi-step reaction with 5 steps

1.1: n-butyllithium; diisopropylamine; lithium diisopropyl amide / hexane; tetrahydrofuran / 1 h / -78 °C

1.2: 5 h / -78 - 20 °C

2.1: sodium hydroxide; water / methanol / 24 h / 100 °C

3.1: oxalyl dichloride / N,N-dimethyl-formamide; dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 0 - 20 °C

5.1: nickel(II) triflate; mesitylenecarboxylic acid; sodium carbonate / N,N-dimethyl-formamide / 24 h / 160 °C / Inert atmosphere

With nickel(II) triflate; n-butyllithium; oxalyl dichloride; mesitylenecarboxylic acid; water; sodium carbonate; triethylamine; diisopropylamine; sodium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; hexane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ja411715v

upstream raw materials:

methanol

ethyl 2-acetyl-2-butylhexanoate

Downstream raw materials:

2-butyl-1,1-diphenyl-hexan-1-ol

2-butylhexan-1-ol

2-Butyl-1,1-bis-(4-methoxy-phenyl)-hexen-⁽¹⁾

2-butyl-1,1-diphenyl-hex-1-ene