(2R)-2-Mercapto-3-methyl-1-butanol

Base Information

• Chemical Name: (2R)-2-Mercapto-3-methyl-1-butanol
• CAS No.: 126424-40-6
• Molecular Formula: C5H12OS
• UNII: NMX426Y1S9
• Mol file: 126424-40-6.mol

Synonyms:(2R)-2-Mercapto-3-methyl-1-butanol;Fema No. 4894, R-;NMX426Y1S9;UNII-NMX426Y1S9;2-Mercapto-3-methyl-1-butanol, (R)-;1-Butanol, 2-mercapto-3-methyl-, (R)-;1-Butanol, 2-mercapto-3-methyl-, (2R)-;126424-40-6;SCHEMBL22893335

Chemical Property of (2R)-2-Mercapto-3-methyl-1-butanol

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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(CO)S
• Isomeric SMILES: CC(C)[C@H](CO)S

Technology Process of (2R)-2-Mercapto-3-methyl-1-butanol

There total 1 articles about (2R)-2-Mercapto-3-methyl-1-butanol 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:

(3R,5R)-5-Isopropyl-3-((S)-2-methylene-cyclohexyl)-[1,4]oxathian-2-one (126424-47-3) → (2R)-3-methyl-2-sulfanylbutan-1-ol (126424-40-6) + ((R)-2-Methylene-cyclohexyl)-acetic acid (126574-93-4)

Guidance literature:

With potassium hydroxide; ammonia; calcium; Yield given. Multistep reaction. Further byproducts given; 1) MeOH;

DOI:10.1021/jo00295a010

Reference yield:

(2R)-3-methyl-2-sulfanylbutan-1-ol (126424-40-6) → 2-benzyl-8-isopropyl-4-methoxycarbonyl-3-oxa-7-thia-2-azabicyclo<3.3.0>octane

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / triethylamine / diethyl ether / 8 h / op. 81 percent of starting material

2: 1.)(COCl)2, DMSO, triethylamine; 2.) MgSO₄ / 1.) CH₂Cl₂, 1 h; 5 min, -78 deg C; 2.) CH₂Cl₂, water, 12 h

With oxalyl dichloride; magnesium sulfate; dimethyl sulfoxide; triethylamine; In diethyl ether;

DOI:10.1016/S0040-4020(01)89668-X

Reference yield:

(2R)-3-methyl-2-sulfanylbutan-1-ol (126424-40-6) + bromoacetic acid methyl ester (96-32-2) → (R)-5-Isopropyl-[1,4]oxathian-2-one (133117-52-9) + ((R)-1-Hydroxymethyl-2-methyl-propylsulfanyl)-acetic acid methyl ester (133117-51-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4039(00)92621-2

upstream raw materials:

(3R,5R)-5-Isopropyl-3-((S)-2-methylene-cyclohexyl)-[1,4]oxathian-2-one

Downstream raw materials:

(R)-5-Isopropyl-[1,4]oxathian-2-one

((R)-1-Hydroxymethyl-2-methyl-propylsulfanyl)-acetic acid methyl ester

(5R)-2,2-dimethyl-5-(1-methylethyl)-1,4-oxathiane