(2-Benzyl-2-methyl-3-methylsulfonyloxypropyl) methanesulfonate

Base Information

• Chemical Name: (2-Benzyl-2-methyl-3-methylsulfonyloxypropyl) methanesulfonate
• CAS No.: 40548-53-6
• Molecular Formula: C₁₃H₂₀O₆S₂
• Molecular Weight: 336.43
• NSC Number: 172521
• DSSTox Substance ID: DTXSID20305887
• Wikidata: Q82052677
• Mol file: 40548-53-6.mol

Synonyms:40548-53-6;NSC172521;DTXSID20305887;(2-benzyl-2-methyl-3-methylsulfonyloxypropyl) methanesulfonate;NSC-172521

Chemical Property of (2-Benzyl-2-methyl-3-methylsulfonyloxypropyl) methanesulfonate

Chemical Property:

• Vapor Pressure: 1.25E-11mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 551.1°Cat760mmHg
• Flash Point: 287.1°C
• Density: 1.295g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 336.07013070
• Heavy Atom Count: 21
• Complexity: 470

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)(COS(=O)(=O)C)COS(=O)(=O)C

Technology Process of (2-Benzyl-2-methyl-3-methylsulfonyloxypropyl) methanesulfonate

There total 2 articles about (2-Benzyl-2-methyl-3-methylsulfonyloxypropyl) 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:

2-benzyl-2-methylmalonic acid diethyl ester (55114-30-2) → 2-Benzyl-2-methyl-1,3-propandiol-bis-methansulfonat (40548-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran

2: Py / benzene

With pyridine; lithium aluminium tetrahydride; In tetrahydrofuran; benzene;

DOI:10.1021/jo00956a004

Reference yield:

2-benzyl-2-methyl-1,3-propanediol (2109-99-1) + methanesulfonyl chloride (124-63-0) → 2-Benzyl-2-methyl-1,3-propandiol-bis-methansulfonat (40548-53-6)

Guidance literature:

With pyridine; In benzene;

DOI:10.1021/jo00956a004

Reference yield:

2-Benzyl-2-methyl-1,3-propandiol-bis-methansulfonat (40548-53-6) → 2-Benzyl-2-methyl-1,3-dichlorpropan (40548-56-9)

Guidance literature:

With lithium chloride; In 2-ethoxy-ethanol;

DOI:10.1021/jo00956a004

upstream raw materials:

2-benzyl-2-methyl-1,3-propanediol

methanesulfonyl chloride

2-benzyl-2-methylmalonic acid diethyl ester

Downstream raw materials:

2-Benzyl-2-methyl-1,3-dichlorpropan

2-Benzyl-2-methyl-1,3-dibrompropan

2-benzyl-2-methyl-1,3-diiodopropane

1-benzyl-1-methylcyclopropane