2-Methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate

Base Information

• Chemical Name: 2-Methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate
• CAS No.: 17231-17-3
• Molecular Formula: C11H14 O4 S
• Molecular Weight: 242.296
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID10510483
• Wikidata: Q82368802
• Mol file: 17231-17-3.mol

Synonyms:2-Methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate;17231-17-3;(2-methyl-1-oxo-1-phenylpropan-2-yl) methanesulfonate;2-Methyl-1-oxo-1-phenylpropan-2-ylmethanesulfonate;DTXSID10510483;AKOS015998720;2-mesyloxy-2-methyl-1-phenyl-1-propanone;A881882

Chemical Property of 2-Methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate

Chemical Property:

• Melting Point: 90-92 °C
• Refractive Index: n20/D 1.623(lit.)
• Boiling Point: 255.6°Cat760mmHg
• Flash Point: 99.2°C
• PSA: 38.80000
• Density: 1.421g/cm³
• LogP: 3.28210
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 242.06128010
• Heavy Atom Count: 16
• Complexity: 345

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-1-oxo-1-phenylpropan-2-ylmethanesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)C1=CC=CC=C1)OS(=O)(=O)C

Technology Process of 2-Methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate

There total 5 articles about 2-Methyl-1-oxo-1-phenylpropan-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: 81.0%

2-hydroxy-2-methylpropiophenone (7473-98-5) + methanesulfonyl chloride (124-63-0) → 2-methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate (17231-17-3)

Guidance literature:

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

DOI:10.1021/jo901815t

Reference yield:

Methanesulfinic acid 1,1-dimethyl-2-oxo-2-phenyl-ethyl ester → 2-methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate (17231-17-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Yield given;

DOI:10.1021/ja00379a018

Reference yield:

2-Methyl-1-phenyl-2-trimethylsilanyloxy-propan-1-one (55418-35-4) → 2-methyl-1-oxo-1-phenylpropan-2-yl methanesulfonate (17231-17-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 99 percent / CF₃COOH / methanol / 2 h

2: Et₃N / -78 - 0 °C

3: 85percent m-chloroperbenzoic acid / CH₂Cl₂

With triethylamine; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid; In methanol; dichloromethane;

DOI:10.1021/ja00379a018

upstream raw materials:

2-Methyl-1-phenyl-2-trimethylsilanyloxy-propan-1-one

2-hydroxy-2-methylpropiophenone

methanesulfonyl chloride

Downstream raw materials:

2-methyl-1-phenylprop-2-en-1-one

2,3-dihydro-2-methyl-1H-inden-1-one

2-methyl-1-oxo-1-phenylpropan-2-yl acetate

Trifluoro-acetic acid 1,1-dimethyl-2-oxo-2-phenyl-ethyl ester