(S)-2-Ethylhexanoic acid

Base Information

• Chemical Name: (S)-2-Ethylhexanoic acid
• CAS No.: 72377-05-0
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Mol file: 72377-05-0.mol

Synonyms:(+)(S)-Heptan-carbonsaeure-(3);(S)-2-ethylhexanoic acid;(S)-2-Aethyl-hexansaeure;(S)-2-ethyl-hexanoic acid;(S)ethyl-2-hexanoic acid;S-(+)-2-ethylhexanoic acid;

Chemical Property of (S)-2-Ethylhexanoic acid

Chemical Property:

• Boiling Point: 228°Cat760mmHg
• PKA: 4.82±0.25(Predicted)
• Flash Point: 116.6°C
• PSA: 37.30000
• Density: 0.926g/cm³
• LogP: 2.28740

Purity/Quality:

98% ^*data from raw suppliers

(S)-2-Ethylhexanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-2-Ethylhexanoic acid

There total 3 articles about (S)-2-Ethylhexanoic 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:

2-ethylhexanoic acid p-nitrophenyl ester → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + R-(-)-2-ethylhexanoic acid (56006-48-5) + (2S)-ethylhexanoic acid (72377-05-0)

Guidance literature:

With Candida antarctica lipase A wild type; In acetonitrile; at 20 ℃; for 2h; optical yield given as %ee; enantioselective reaction; aq. phosphate buffer; aq. buffer; Enzymatic reaction;

DOI:10.1021/ja100593j

Reference yield:

2-Ethylhexanoic acid (149-57-5) → (-)-3-Carboxy-heptan (149-57-5,56006-48-5,72377-05-0,83829-68-9)

Guidance literature:

In water; acetone;

DOI:10.1021/ja00895a025

Reference yield:

2-ethylhexanoic acid p-nitrophenyl ester → R-(-)-2-ethylhexanoic acid (56006-48-5) + (2S)-ethylhexanoic acid (72377-05-0) + C14H19NO4 + C14H19NO4

Guidance literature:

2-ethylhexanoic acid p-nitrophenyl ester; With Pseudomonas aeruginosa lipase Met₁₆Ala/Leu₁₇Phe/Leu₁₆₂Asn mutant; In acetonitrile; at 30 ℃; for 1.5h; pH=7.5; aq. phosphate buffer; Resolution of racemate; Enzymatic reaction;

With hydrogenchloride; In water; acetonitrile; enantioselective reaction;

DOI:10.1021/ja1030479

upstream raw materials:

2-Ethylhexanoic acid

Downstream raw materials:

(S)ethyl-2-hexan-1-ol (R)-<2-methoxy-2-phenyl-2-(trifluoromethyl)acetic> ester

(+)(S)-heptane-carboxylic acid-(3)-amide

bis<(S)ethyl-2-hexyl> sodium sulfosuccinate

bis<(S)ethyl-2-hexyl> maleate

Refernces

• 1、 Reetz, Manfred T.,Prasad, Shreenath,Carballeira, Jose D.,Gumulya, Yosephine,Bocola, Marco. "Iterative saturation mutagenesis accelerates laboratory evolution of enzyme stereoselectivity: Rigorous comparison with traditional methods". experimental part. p. 9144 - 9152. Retrieved 2010/08/21.