3-ETHYLHEPTANOIC ACID

Base Information

• Chemical Name: 3-ETHYLHEPTANOIC ACID
• CAS No.: 14272-47-0
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.241
• Hs Code.: 2915900090
• Mol file: 14272-47-0.mol

Synonyms:Enanthicacid, b-ethyl- (4CI);3-Ethylheptanoicacid;

Chemical Property of 3-ETHYLHEPTANOIC ACID

Chemical Property:

• Vapor Pressure: 0.0057mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 253.4 °C at 760 mmHg
• PKA: 4.80±0.10(Predicted)
• Flash Point: 129.7 °C
• PSA: 37.30000
• Density: 0.919 g/cm³
• LogP: 2.67750

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-ethylheptanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ETHYLHEPTANOIC ACID

There total 18 articles about 3-ETHYLHEPTANOIC 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: 70.0%

3-bromomethylheptane (18908-66-2) + carbon dioxide (124-38-9,18923-20-1) → 3-ethylheptanoic acid (14272-47-0,42330-40-5,57403-75-5)

Guidance literature:

With manganese; (1,2-dimethoxyethane)dichloronickel(II); 2,9-diethyl-1,10-phenanthroline; In N,N-dimethyl acetamide; at 20 ℃; for 12h; under 760.051 Torr; Schlenk technique;

DOI:10.1021/ja5064586

Reference yield: 67.0%

3-bromomethylheptane (18908-66-2) + carbon dioxide (124-38-9,18923-20-1) + potassium carbonate (584-08-7) → 3-ethylheptanoic acid (14272-47-0,42330-40-5,57403-75-5)

Guidance literature:

With nickel(II) bromide dimethoxyethane; 2.9-dimethyl-1,10-phenanthroline; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; C₆₀H₃₆N₂; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Molecular sieve; Irradiation;

DOI:10.1002/anie.201706724

Reference yield: 55.0%

n-butyllithium (109-72-8,29786-93-4) + trans-2-pentenoic acid (13991-37-2) → 3-ethylheptanoic acid (14272-47-0,42330-40-5,57403-75-5)

Guidance literature:

In tetrahydrofuran; at -70 ℃;

DOI:10.1016/S0040-4039(98)01306-9

upstream raw materials:

isocyanate de chlorosulfonyle

2-ethyl-1-hexene

carbon dioxide

(2-ethylhexyl)(phenyl)sulfane

Downstream raw materials:

3-ethyl-heptan-1-ol

3-(bis(benzyloxy)phosphoryloxy)propane-1,2-diyl bis(3-ethylheptanoate)

(3S)-3-Ethylheptan-1-ol

Refernces

• 1、 B?rjesson, Marino,Moragas, Toni,Martin, Ruben. "Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2". supporting information. p. 7504 - 7507. Retrieved 2016/07/06.
• 2、 -. "Method for Producing Isononanoic Acid Esters, Starting from 2-Ethyl Hexanol". Paragraph 0081-0087. . Retrieved 2015/06/17.