Clomesone

Base Information

• Chemical Name: Clomesone
• CAS No.: 88343-72-0
• Molecular Formula: C₄H₉ClO₅S₂
• Molecular Weight: 236.697
• Hs Code.: 2905590090
• NSC Number: 338947
• UNII: 2J031W0YZI
• DSSTox Substance ID: DTXSID10236979
• Nikkaji Number: J78.420F
• Wikidata: Q27254805
• NCI Thesaurus Code: C28888
• ChEMBL ID: CHEMBL290487
• Mol file: 88343-72-0.mol

Synonyms:2-chloroethyl-(methylsulfonyl)methanesulfonate;2-CMSMS;clomesome;clomesone;NSC 33947;NSC-338947

Chemical Property of Clomesone

Chemical Property:

• Vapor Pressure: 4.02E-09mmHg at 25°C
• Boiling Point: 485.9°C at 760 mmHg
• Flash Point: 247.7°C
• PSA: 94.27000
• Density: 1.533g/cm³
• LogP: 1.73530
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 235.9579934
• Heavy Atom Count: 12
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CS(=O)(=O)OCCCl

Technology Process of Clomesone

There total 3 articles about Clomesone 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: 45.0%

(methylsulphonyl)-methanesulphonyl chloride (22317-89-1) + 2-chloro-ethanol (107-07-3) → 2-chloroethyl (methylsulfonyl)methanesulfonate (88343-72-0)

Guidance literature:

With triethylamine; In ethyl acetate; for 3h;

DOI:10.1021/jm00371a019

Reference yield:

methanesulfonyl chloride (124-63-0) + 2-chloro-ethanol (107-07-3) → 2-chloroethyl (methylsulfonyl)methanesulfonate (88343-72-0)

Guidance literature:

With triethylamine; Yield given. Multistep reaction; 1.) CH₃CN, -30 - -40 deg C, 1 h, 2.) CH₃CN, -30 - -40 deg C, 2 h;

DOI:10.1002/jps.2600821203

Reference yield:

→ 2-chloroethyl (methylsulfonyl)methanesulfonate (88343-72-0)

Guidance literature:

upstream raw materials:

methanesulfonyl chloride

2-chloro-ethanol

(methylsulphonyl)-methanesulphonyl chloride