Methyl (chlorosulfonyl)acetate

Base Information

• Chemical Name: Methyl (chlorosulfonyl)acetate
• CAS No.: 56146-83-9
• Molecular Formula: C3H5ClO4S
• Molecular Weight: 172.589
• Hs Code.: 2915900090
• European Community (EC) Number: 811-194-9
• DSSTox Substance ID: DTXSID20465718
• Nikkaji Number: J1.366.732B
• Wikidata: Q72489470
• Mol file: 56146-83-9.mol

Synonyms:methyl (chlorosulfonyl)acetate;56146-83-9;methyl 2-(chlorosulfonyl)acetate;Methyl 2-chlorosulfonylacetate;MFCD00075558;Methoxycarbonylmethanesulfonyl chloride;C3H5ClO4S;Acetic acid, (chlorosulfonyl)-, methyl ester;2-chlorosulfonylacetic acid methyl ester;ClSO2CH2CO2CH3;methyl chlorosulfonylacetate;Methyl(chlorosulfonyl)acetate;SCHEMBL703295;methyl2-(chlorosulfonyl)acetate;methyl-2-(chlorosulfonyl)acetate;AMY9143;DTXSID20465718;YBIPZPBGAGTBGK-UHFFFAOYSA-N;methoxycarbonylmethylsulfonyl chloride;chlorosulfonylacetic acid methyl ester;AKOS009175806;chlorosulfonyl acetic acid methyl ester;chlorosulfonyl-acetic acid methyl ester;BS-13051;SY006008;Methyl (chlorosulfonyl)acetate, AldrichCPR;FT-0696584;EN300-30852;A913729;F9995-1815

Chemical Property of Methyl (chlorosulfonyl)acetate

Chemical Property:

• Vapor Pressure: 0.074mmHg at 25°C
• Refractive Index: 1.466 (20℃)
• Boiling Point: 228.392 °C at 760 mmHg
• Flash Point: 91.928 °C
• PSA: 68.82000
• Density: 1.515 g/cm³
• LogP: 0.80880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.9597075
• Heavy Atom Count: 9
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

Methyl(chlorosulfonyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CS(=O)(=O)Cl

Technology Process of Methyl (chlorosulfonyl)acetate

There total 5 articles about Methyl (chlorosulfonyl)acetate 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: 100.0%

Methyl thioglycolate (2365-48-2) → chlorosulfonyl-acetic acid methyl ester (56146-83-9)

Guidance literature:

With chlorine; In dichloromethane; water; at -20 - -6 ℃;

Reference yield: 100.0%

methanol (67-56-1) + chlorosulfonylacetyl chloride (4025-77-8) → chlorosulfonyl-acetic acid methyl ester (56146-83-9)

Guidance literature:

In diethyl ether; at 0 ℃;

DOI:10.1016/S0040-4039(00)01167-9

Reference yield: 88.0%

sodium 2-methoxy-2-oxoethane-1-sulfonate (29508-16-5) → chlorosulfonyl-acetic acid methyl ester (56146-83-9)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 2h;

DOI:10.1021/acs.orglett.0c03298

upstream raw materials:

methanol

chlorosulfonylacetyl chloride

sodium 2-methoxy-2-oxoethane-1-sulfonate

Methyl thioglycolate

Downstream raw materials:

(4-Butoxy-phenylsulfamoyl)-acetic acid methyl ester

2-Benzyl-3-(4-nitro-phenyl)-1,1-dioxo-1λ⁶-[1,2]thiazetidine-4-carboxylic acid methyl ester

3-Methyl-1,1-dioxo-2-(2-phenylselanyl-ethyl)-1λ⁶-[1,2]thiazetidine-4-carboxylic acid methyl ester

1,1-Dioxo-3-phenyl-2-(2-phenylselanyl-ethyl)-1λ⁶-[1,2]thiazetidine-4-carboxylic acid methyl ester