(S)-3-METHYLHEPTANOIC ACID

Base Information

• Chemical Name: (S)-3-METHYLHEPTANOIC ACID
• CAS No.: 59614-85-6
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Mol file: 59614-85-6.mol

Synonyms:Heptanoicacid, 3-methyl-, (S)-;(-)-3-Methylheptanoic acid;(S)-(-)-3-Methylheptanoicacid;(S)-3-Methylheptanoic acid;

Chemical Property of (S)-3-METHYLHEPTANOIC ACID

Chemical Property:

• Boiling Point: 234.584 °C at 760 mmHg
• Flash Point: 116.564 °C
• PSA: 37.30000
• Density: 0.927 g/cm³
• LogP: 2.28740

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-METHYLHEPTANOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-3-METHYLHEPTANOIC ACID

There total 57 articles about (S)-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: 99.0%

3-methylideneheptanoic acid (84817-84-5) → (-)-(S)-3-methylheptanoic acid (59614-85-6)

Guidance literature:

With C₃₈H₃₆IrO₂P; hydrogen; caesium carbonate; In butan-1-ol; at 65 ℃; under 2280.15 Torr; enantioselective reaction;

DOI:10.1039/c6sc03764j

Reference yield: 88.0%

(1'S,2'S,3S)-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N,3-dimethylheptanamide (913962-59-1) → (-)-(S)-3-methylheptanoic acid (59614-85-6)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; for 6h; Heating;

DOI:10.1021/jo061205e

Reference yield: 87.0%

S-3-methyl-6-heptenoic acid (116370-22-0) → (-)-(S)-3-methylheptanoic acid (59614-85-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 2h; under 2585.7 Torr;

DOI:10.1016/0957-4166(96)00026-2

upstream raw materials:

(S)-(-)-methyl 3-methylheptanoate

1-bromo-butane

(S)-1-((1S,5R,7R)-10,10-Dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-3-methyl-heptan-1-one

(S)-3-Methyl-heptanoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

Downstream raw materials:

(1S,2R,6S,7S,8S)-8-(tert-Butyl-diphenyl-silanyloxy)-5-((S)-3-methyl-heptanoyl)-3-oxa-5-aza-tricyclo[5.2.1.0^2,6]decan-4-one

(S)-1-bromo-2-methylhexane

(S)-3-methylheptan-1-ol

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

Refernces

• 1、 Yang, Shuang,Che, Wen,Wu, Hui-Ling,Zhu, Shou-Fei,Zhou, Qi-Lin. "Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids". . p. 1977 - 1980. Retrieved 2017/03/09.
• 2、 Hogan, Anne-Marie L.,O'Shea, Donal F.. "Asymmetric cascade reaction sequences via chiral lithiated intermediates". . p. 2503 - 2509. Retrieved 2008/09/19.