3-Methylbutan-2-yl methanesulfonate

Base Information

• Chemical Name: 3-Methylbutan-2-yl methanesulfonate
• CAS No.: 26943-74-8
• Molecular Formula: C6H14 O3 S
• Molecular Weight: 166.24
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID20949725
• Nikkaji Number: J549.610A
• Mol file: 26943-74-8.mol

Synonyms:3-methylbutan-2-yl methanesulfonate;26943-74-8;3-methyl-2-butylmethanesulphonate;BRN 2238921;3-Methyl-2-butyl methanesulfonate;3-Methyl-2-butylmeththanesulfonate;3-Methyl-2-butyl methanesulphonate;3-Methyl-2-butanol methanesulfonate;2-Butanol, 3-methyl-, methanesulfonate;starbld0032943;SCHEMBL7785269;DTXSID20949725;BBA94374;AKOS006278424;EN300-1236594

Chemical Property of 3-Methylbutan-2-yl methanesulfonate

Chemical Property:

• Vapor Pressure: 0.0429mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 246.3°Cat760mmHg
• Flash Point: 102.8°C
• PSA: 65.58000
• Density: 1.067g/cm³
• LogP: 1.90450
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.06636548
• Heavy Atom Count: 10
• Complexity: 176

Purity/Quality:

99%min ^*data from raw suppliers

3-METHYL-2-BUTYLMETHANESULPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)OS(=O)(=O)C

Technology Process of 3-Methylbutan-2-yl methanesulfonate

There total 1 articles about 3-Methylbutan-2-yl methanesulfonate 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: 64.0%

3-methyl-2-butanol (598-75-4) + methanesulfonyl chloride (124-63-0) → 1,2-dimethylpropanol methanesulfonate (ester) (26943-74-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

Reference yield:

cis-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one + chloroform (67-66-3,8013-54-5) + 1,2-dimethylpropanol methanesulfonate (ester) (26943-74-8) → cis-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-(1,2-dimethylpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Guidance literature:

With potassium carbonate; In methanol; N,N-dimethyl-formamide; benzene;

upstream raw materials:

3-methyl-2-butanol

methanesulfonyl chloride

Refernces