3-Methyl-2-sulfanylbutan-1-ol

Base Information

• Chemical Name: 3-Methyl-2-sulfanylbutan-1-ol
• CAS No.: 116229-37-9
• Molecular Formula: C5H12OS
• Molecular Weight: 120.216
• UNII: ZBQ3H05T3L
• DSSTox Substance ID: DTXSID80557966
• Metabolomics Workbench ID: 48660
• Nikkaji Number: J2.360.004H

Synonyms:116229-37-9;2-Mercapto-3-methyl-1-butanol;3-methyl-2-sulfanylbutan-1-ol;1-Butanol, 2-mercapto-3-methyl-;xi-2-Mercapto-3-methyl-1-butanol;Fema No. 4894;2-mercapto-3-methylbutanol;ZBQ3H05T3L;1-Butanol, 2-mercapto-3-methyl- (9CI);UNII-ZBQ3H05T3L;3-methyl-2-sulanylbutan-1-ol;SCHEMBL7518519;3-methyl-2-sulfanyl-butan-1-ol;DTXSID80557966;CHEBI:193954;QBYYSQQYPUMFOX-UHFFFAOYSA-N;AKOS015897508;EN300-1180014;A803577

Chemical Property of 3-Methyl-2-sulfanylbutan-1-ol

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 120.06088618
• Heavy Atom Count: 7
• Complexity: 45.3

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CO)S

Technology Process of 3-Methyl-2-sulfanylbutan-1-ol

There total 8 articles about 3-Methyl-2-sulfanylbutan-1-ol 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: 63.0%

2-mercapto-3-methylbutanoic acid (39801-53-1,114423-53-9,132958-60-2,138619-81-5) → rac-3-methyl-2-mercapto-1-butanol (116229-37-9)

Guidance literature:

With sodium tetrahydroborate; titanium tetrachloride; In 1,2-dimethoxyethane; for 48h; Ambient temperature;

DOI:10.1135/cccc19930404

Reference yield: 7.0%

2-mercapto-3-methyl-2-butenoic acid → rac-3-methyl-2-mercapto-1-butanol (116229-37-9) + 2-mercapto-3-methyl-2-buten-1-ol

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 48h;

DOI:10.1135/cccc19930404

Reference yield:

Dithiocarbonic acid O-ethyl ester S-(1-formyl-2-methyl-propyl) ester → rac-3-methyl-2-mercapto-1-butanol (116229-37-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 24h; Yield given;

DOI:10.1135/cccc19930404

upstream raw materials:

2-mercapto-3-methylbutanoic acid

ethyl 2-bromoisovalerate

2-bromoisovaleric acid

5-(1-methylethylidene)-2-thioxo-1,3-thiazolidin-4-one

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