Methyl 2-[(chlorosulfonyl)methyl]benzoate

Base Information

• Chemical Name: Methyl 2-[(chlorosulfonyl)methyl]benzoate
• CAS No.: 103342-27-4
• Molecular Formula: C9H9ClO4S
• Molecular Weight: 248.687
• European Community (EC) Number: 817-416-0
• Mol file: 103342-27-4.mol

Synonyms:103342-27-4;methyl 2-[(chlorosulfonyl)methyl]benzoate;o-Methoxycarbonyl benzyl sulfonyl chloride;Methyl 2-(chlorosulfonylmethyl)benzoate;Benzoic acid, 2-[(chlorosulfonyl)methyl]-, methyl ester;SCHEMBL2884550;2-CHLOROSULFONYLMETHYL-BENZOIC ACID METHYL ESTER;DZNIVKJHYLMSST-UHFFFAOYSA-N;MFCD10566386;AKOS011309094;AB56170;o-methoxycarbonylbenzyl sulfonyl chloride;methyl2-[(chlorosulfonyl)methyl]benzoate;2-(Methoxycarbonyl)benzylsulfonyl chloride;FT-0718102;EN300-59510;o-(carbomethoxy)phenylmethanesulfonyl chloride

Chemical Property of Methyl 2-[(chlorosulfonyl)methyl]benzoate

Chemical Property:

• PSA: 68.82000
• LogP: 2.62260
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.9910076
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-[(Chlorosulfonyl)methyl]benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1CS(=O)(=O)Cl

Technology Process of Methyl 2-[(chlorosulfonyl)methyl]benzoate

There total 12 articles about Methyl 2-[(chlorosulfonyl)methyl]benzoate 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: 98.86%

methyl 2-((carbamimidoylthio)methyl)benzoate hydrochloride → 2-(Chlorosulfonylmethyl)benzoic acid methyl ester (103342-27-4)

Guidance literature:

With water; chlorine; In dichloromethane; at 1 ℃; for 1.5h; Temperature;

Reference yield: 83.0%

o-(chloromethyl)benzoic acid methyl ester (34040-62-5) → 2-(Chlorosulfonylmethyl)benzoic acid methyl ester (103342-27-4)

Guidance literature:

With Sodium thiosulfate pentahydrate; chlorine; acetic acid; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

Reference yield: 47.0%

methyl 2-({[amino(imino)methyl]thio}methyl)benzoate hydrobromide (21784-51-0) → 2-(Chlorosulfonylmethyl)benzoic acid methyl ester (103342-27-4)

Guidance literature:

With water; chlorine; at 0 ℃; for 0.5h;

upstream raw materials:

2-Methyl-benzoic acid methyl ester

methyl 2-({[amino(imino)methyl]thio}methyl)benzoate hydrobromide

2-benzofuran-1(3H)-one

o-(chloromethyl)benzoic acid methyl ester

Downstream raw materials:

2-[((S)-1-Benzyloxycarbonylmethyl-2-oxo-azepan-3-ylsulfamoyl)-methyl]-benzoic acid methyl ester

[[((1,1-dimethylethyl)amino)sulfonyl]methyl]benzoic acid methyl ester

C₃₅H₅₄N₈O₁₁S

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