Ethyl (2S)-2-hydroxy-3-methylbutanoate

Base Information

• Chemical Name: Ethyl (2S)-2-hydroxy-3-methylbutanoate
• CAS No.: 63674-18-0
• Molecular Formula: C7H14O3
• Molecular Weight: 146.18400
• European Community (EC) Number: 820-957-5
• DSSTox Substance ID: DTXSID80545661
• Nikkaji Number: J1.346.775G
• Wikidata: Q82423231

Synonyms:Ethyl (2S)-2-hydroxy-3-methylbutanoate;63674-18-0;SCHEMBL1164582;DTXSID80545661;IZRVEUZYBVGCFC-LURJTMIESA-N;Ethyl(2S)-2-hydroxy-3-methylbutanoate;G47228;EN300-1174706

Chemical Property of Ethyl (2S)-2-hydroxy-3-methylbutanoate

Chemical Property:

• PSA: 46.53000
• LogP: 0.56640
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 109

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl (2S)-2-hydroxy-3-methylbutanoate

There total 1 articles about Ethyl (2S)-2-hydroxy-3-methylbutanoate 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:

methanol (67-56-1) + ethyl 3-methyl-2-oxobutanoate (20201-24-5) → methyl 2-hydroxy-3-methylbutanoate (17417-00-4) + ethyl (2S)-2-hydroxy-3-methylbutanoate (63674-18-0) + ethyl (R)-2-hydroxy-3-methylbutyrate (129025-85-0)

Guidance literature:

With hydrogen; chiral Ru complex; at 20 ℃; for 100h; under 25857.4 Torr; Title compound not separated from byproducts;

DOI:10.1021/ja0602694

Reference yield: 92.0%

ethyl (2S)-2-hydroxy-3-methylbutanoate (63674-18-0) + tert-butylchlorodiphenylsilane (58479-61-1) → ethyl (2S)-2-<(tert-butyldiphenylsilyl)oxy>-3-methylbutanoate (173425-03-1)

Guidance literature:

With 1H-imidazole; In N,N-dimethyl-formamide; at 80 ℃; for 7h;

DOI:10.1021/jo9518258

Reference yield: 60.0%

ethyl (2S)-2-hydroxy-3-methylbutanoate (63674-18-0) + phenylmagnesium bromide → (S) 1,1-diphenyl 3-methyl 1,2-dihydroxybutane (63674-17-9)

Guidance literature:

In diethyl ether;

DOI:10.1016/0957-4166(90)90014-2

upstream raw materials:

methanol

ethyl 3-methyl-2-oxobutanoate

Downstream raw materials:

(S) 1,1-diphenyl 3-methyl 1,2-dihydroxybutane

ethyl (2S)-2-<(tert-butyldiphenylsilyl)oxy>-3-methylbutanoate

(3S)-3-<(tert-butyldiphenylsilyl)oxy>-4-methyl-1-pentene

<2S,2(2R),2(3S)>-N-<(benzyloxy)carbonyl>-2-(2,3-dihydroxy-4-methylpentyl)piperidine

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