3-METHYLHEPTANOIC ACID

Base Information

• Chemical Name: 3-METHYLHEPTANOIC ACID
• CAS No.: 53663-30-2
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.214
• Hs Code.: 2915900090
• Mol file: 53663-30-2.mol

Synonyms:3-Methylheptanoic acid;(?à)-3-Methylheptanoic acid;

Chemical Property of 3-METHYLHEPTANOIC ACID

Chemical Property:

• Vapor Pressure: 0.0182mmHg at 25°C
• Refractive Index: 1.435
• Boiling Point: 234.6 °C at 760 mmHg
• Flash Point: 116.6 °C
• PSA: 37.30000
• Density: 0.926 g/cm³
• LogP: 2.28740
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Methylheptanoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-METHYLHEPTANOIC ACID

There total 30 articles about 3-METHYLHEPTANOIC 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: 89.0%

4-methyloxetan-2-one (3068-88-0,32082-74-9,36536-46-6,65058-82-4) → 3-methylheptanoic acid (53663-30-2)

Guidance literature:

In tetrahydrofuran; 1.) -30 deg C, 1 h, 2.) 0 deg C, 1 h;

DOI:10.1016/S0040-4039(00)78992-1

Reference yield: 87.0%

2-methyl-3-(2-furyl)-propenoic acid (84050-60-2) → 3-methylheptanoic acid (53663-30-2)

Guidance literature:

With palladium on activated charcoal; W(OTf)₆; hydrogen; acetic acid; at 180 ℃; for 10h; under 22502.3 Torr; Autoclave;

Reference yield: 82.0%

ethyl 3-(furan-2-yl)-2-butenoate (59562-21-9,59562-22-0,74361-74-3) → 3-methylheptanoic acid (53663-30-2)

Guidance literature:

With palladium on activated charcoal; W(OTf)₆; hydrogen; acetic acid; at 180 ℃; for 10h; under 22502.3 Torr; Autoclave;

upstream raw materials:

2-bromohexane

sodium diethylmalonate

2,5-dimethyl-1,3-cyclohexanedione

n-butyl magnesium bromide

Downstream raw materials:

6-methyldecanoic acid

3-methylheptane-1-ol

(S)-3-methylheptan-1-ol

(R)-(+)-3-Methyl-1-heptanol