(2R)-2-methylhexanoic acid

Base Information

• Chemical Name: (2R)-2-methylhexanoic acid
• CAS No.: 51703-97-0
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• European Community (EC) Number: 817-922-1
• Nikkaji Number: J58.967E
• Wikidata: Q61703491
• Mol file: 51703-97-0.mol

Synonyms:(2R)-2-methylhexanoic acid;(r)-2-methylhexanoic acid;51703-97-0;Hexanoic acid, 2-methyl-, (R)-;(r)-2-methylhexanoicacid;(R)-2-methyl-hexanoic acid;SCHEMBL1532456;(R)-2-methyl-1-hexanoic acid;CVKMFSAVYPAZTQ-ZCFIWIBFSA-N;AKOS006274238;(2S)-2-Methylhexanoic acid >90%ee;EN300-85214;Q61703491;Z1198154529

Chemical Property of (2R)-2-methylhexanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.89730
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 88.9

Purity/Quality:

99% ^*data from raw suppliers

(2R)-2-METHYLHEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)C(=O)O
• Isomeric SMILES: CCCC[C@@H](C)C(=O)O

Technology Process of (2R)-2-methylhexanoic acid

There total 56 articles about (2R)-2-methylhexanoic 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: 99.6%

(E)-2-methyl-2-hexenoic acid (97961-66-5) → (R)-(-)-2-methylhexanoic acid (51703-97-0)

Guidance literature:

With hydrogen; [RuI((R)-SO₃Na-H₈-BINAP)(p-cymene)]I; In dichloromethane; water; at 80 ℃; for 3h; under 18751.9 Torr; Product distribution / selectivity;

Reference yield: 96.7%

2-methylhexanoic acid (4536-23-6) → (R)-(-)-2-methylhexanoic acid (51703-97-0) + (S)-(+)-2-methylhexanoic acid (49642-51-5)

Guidance literature:

(rac)-2-methylhexanoic acid; With ((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol); In acetone;

With hydrogenchloride; In diethyl ether; optical yield given as %ee;

DOI:10.1002/anie.201106055

Reference yield: 94.0%

(R)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N,2-dimethylhexanamide (1380325-34-7) → (R)-(-)-2-methylhexanoic acid (51703-97-0)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In water; tert-butyl alcohol; at 95 ℃; for 24h; optical yield given as %ee; Inert atmosphere;

DOI:10.1002/anie.201200370

upstream raw materials:

2-methylhexanoic acid

1-iodo-butane

N-((1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-propionamide

1-octadecanol

Downstream raw materials:

(R)-1-bromo-2-methylhexane

(2R,3R,4R,5S,6R,8S,10S)-10-benzyloxy-8-benzyloxymethyl-2-ethyl-3-methyl-4-<(R)-methylhexanoyl>-1,7-dioxaspiro<5.5>undecan-5-ol

(R)-2-Methyl-hexanoic acid (2R,3R,4R,5S,6R,8S,10S)-10-benzyloxy-8-benzyloxymethyl-5-(tert-butyl-dimethyl-silanyloxy)-2-ethyl-3-methyl-1,7-dioxa-spiro[5.5]undec-4-yl ester

(R)-5-Methyldecane