2,2-Dimethylpropane-1-sulfonyl chloride

Base Information

• Chemical Name: 2,2-Dimethylpropane-1-sulfonyl chloride
• CAS No.: 53333-76-9
• Molecular Formula: C5H11ClO2S
• Molecular Weight: 170.66
• Hs Code.: 2904909090
• European Community (EC) Number: 813-375-8
• DSSTox Substance ID: DTXSID20503088
• Wikidata: Q82356616
• Mol file: 53333-76-9.mol

Synonyms:2,2-DIMETHYLPROPANE-1-SULFONYL CHLORIDE;53333-76-9;2,2-dimethyl-propane-1-sulfonyl chloride;MFCD10697745;2,2-dimethyl-1-propanesulfonyl chloride;SCHEMBL349600;DTXSID20503088;RSLHISYPEJMMDT-UHFFFAOYSA-N;AKOS005146261;AB60386;AT12632;BS-13112;SY185522;EN300-82016;A854781

Chemical Property of 2,2-Dimethylpropane-1-sulfonyl chloride

Chemical Property:

• Boiling Point: 43-44 °C(Press: 1 Torr)
• PSA: 42.52000
• Density: 1.1529 g/cm3(Temp: 25 °C)
• LogP: 2.68190
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0168285
• Heavy Atom Count: 9
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

2,2-dimethylpropane-1-sulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CS(=O)(=O)Cl

Technology Process of 2,2-Dimethylpropane-1-sulfonyl chloride

There total 9 articles about 2,2-Dimethylpropane-1-sulfonyl chloride 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:

2,2-dimethylpropyl ethenesulfonate (75391-24-1) → 2,2-dimethyl-propane-1-sulfonyl chloride (53333-76-9)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 0.17 h

2: CH₂Cl₂ / 0.25 h / Ambient temperature

3: 1.) (NH₂)2CS, p-TsOH, 2.) Cl₂ / 1.) DME, 80 deg C, 72 h

With chlorine; toluene-4-sulfonic acid; thiourea; In dichloromethane;

DOI:10.1021/ja00389a038

Reference yield:

neopentyl 2-(dimethylamino)ethanesulfonate (75391-29-6) → 2,2-dimethyl-propane-1-sulfonyl chloride (53333-76-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 0.25 h / Ambient temperature

2: 1.) (NH₂)2CS, p-TsOH, 2.) Cl₂ / 1.) DME, 80 deg C, 72 h

With chlorine; toluene-4-sulfonic acid; thiourea; In dichloromethane;

DOI:10.1021/ja00389a038

Reference yield:

2-<(2,2-dimethylpropoxy)sulfonyl>-N,N,N-trimethylethanaminium fluorosulfate → 2,2-dimethyl-propane-1-sulfonyl chloride (53333-76-9)

Guidance literature:

With chlorine; toluene-4-sulfonic acid; thiourea; Yield given. Multistep reaction; 1.) 1,2-dimethoxyethane, 80 degC, 72 h, 2.) dichloromethane/water, below 20 degC, 1 h;

DOI:10.1055/s-1980-28992

upstream raw materials:

2,2-dimethylpropane

2,2-dimethylpropylmagnesium chloride

neopentyl tosylate

2,2-dimethylpropyl ethenesulfonate

Downstream raw materials:

2,2-dimethylpropane-1-sulfonamide

Neopentan-sulfonsaeure-phenylester

Ethyl 3-[3-(2-neopentylsulphonylamino)ethyl-5-(3-pyridylmethyl)phenyl]propanoate

2,2-dimethylpropanesulfonic acid