2-Ethylheptanoic acid methyl ester

Base Information

• Chemical Name: 2-Ethylheptanoic acid methyl ester
• CAS No.: 816-63-7
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Mol file: 816-63-7.mol

Synonyms:2-Ethyl-oenanthsaeure-methylester;3-Octancarbonsaeure-methylester;3-octahydroindol-2-yl-propan-1-ol;2-Ethyl-heptansaeure-methylester;1H-Indole-2-propanol,octahydro;2-ethyl-heptanoic acid methyl ester;Heptanoic acid, 2-ethyl-, methyl ester;

Chemical Property of 2-Ethylheptanoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.413mmHg at 25°C
• Boiling Point: 195.7oC at 760 mmHg
• Flash Point: 71.4oC
• PSA: 26.30000
• Density: 0.872g/cm3
• LogP: 2.76590

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Ethylheptanoic acid methyl ester

There total 4 articles about 2-Ethylheptanoic 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: 69.2%

methanol (67-56-1) + oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonanoic acid methyl ester (1731-84-6) + methyl 2-methyloctanoate (2177-86-8) + 2-ethyl-heptanoic acid methyl ester (816-63-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; toluene-4-sulfonic acid; triphenylphosphine; In toluene; at 104.84 ℃; under 15001.5 Torr; Pressure; Concentration; regioselective reaction;

DOI:10.1007/s11172-020-2935-z

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + Methyl formate (107-31-3) → nonanoic acid methyl ester (1731-84-6) + methyl 2-methyloctanoate (2177-86-8) + 4-Octancarbonsaeure-methylester (5162-60-7) + 2-ethyl-heptanoic acid methyl ester (816-63-7)

Guidance literature:

With methanesulfonic acid; bis(acetylacetonato)palladium(II); 1,2-bis[di(t-butyl)phosphinomethyl]benzene; In methanol; at 100 ℃; for 20h; under 3825.38 Torr; Temperature; Overall yield = 98 %Chromat.; Autoclave; Inert atmosphere;

Reference yield:

methanol (67-56-1) + oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonanoic acid methyl ester (1731-84-6) + methyl 2-methyloctanoate (2177-86-8) + 4-Octancarbonsaeure-methylester (5162-60-7) + 2-ethyl-heptanoic acid methyl ester (816-63-7)

Guidance literature:

With 2-(tert-butyl(phenyl)phosphanyl)pyridine; toluene-4-sulfonic acid; palladium dichloride; at 120 ℃; for 20h; under 30003 Torr; Reagent/catalyst; Overall yield = 75 %; regioselective reaction; Autoclave; Inert atmosphere;

upstream raw materials:

methanol

oct-1-ene

carbon monoxide

Methyl formate

Refernces

• 1、 -. "MONOPHOSPHINE COMPOUNDS AND PALLADIUM CATALYSTS BASED THEREON FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS". Paragraph 0176; 0177; 0178; 0179; 0180; 0181. . Retrieved 2017/02/24.
• 2、 Mirbach, Manfred J.,Topalsavoglou, Nikolaos,Phu, Tuyet Nhu,Mirbach, Marlis F.,Saus, Alfons. "Photochemical Hydroformylation with Cobalt Catalysts in Methanol". . p. 1422 - 1440. Retrieved 2007/10/02.