Methyl 2-(chlorosulfonyl)-5-methoxybenzoate

Base Information

• Chemical Name: Methyl 2-(chlorosulfonyl)-5-methoxybenzoate
• CAS No.: 65397-56-0
• Molecular Formula: C₉H₉ClO₅S
• Molecular Weight: 264.686
• European Community (EC) Number: 882-494-5
• Mol file: 65397-56-0.mol

Synonyms:methyl 2-(chlorosulfonyl)-5-methoxybenzoate;65397-56-0;methyl 2-chlorosulfonyl-5-methoxybenzoate;SCHEMBL1816360;SMMSYONJPKXKNL-UHFFFAOYSA-N;AKOS010827276;methyl2-(chlorosulfonyl)-5-methoxybenzoate;CS-0527017;EN300-119419;2-Chlorosulfonyl-5-methoxy-benzoic acid methyl ester

Chemical Property of Methyl 2-(chlorosulfonyl)-5-methoxybenzoate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.9859223
• Heavy Atom Count: 16
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)S(=O)(=O)Cl)C(=O)OC

Technology Process of Methyl 2-(chlorosulfonyl)-5-methoxybenzoate

There total 3 articles about Methyl 2-(chlorosulfonyl)-5-methoxybenzoate 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:

5-Methoxy-2-sulfo-benzoic acid methyl ester (65397-68-4) → 2-chlorosulfonyl-5-methoxy-benzoic acid methyl ester (65397-56-0)

Guidance literature:

With phosphorus pentachloride; at 100 ℃; for 2h; Yield given;

DOI:10.1007/BF00765905

Reference yield:

5-Methoxy-1,1-dioxo-1H-1λ6-benzo[c][1,2]oxathiol-3-one (65397-49-1) → 2-chlorosulfonyl-5-methoxy-benzoic acid methyl ester (65397-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.5 h / Heating

2: PCl₅ / 2 h / 100 °C

With phosphorus pentachloride;

DOI:10.1007/BF00765905

Reference yield:

→ 2-chlorosulfonyl-5-methoxy-benzoic acid methyl ester (65397-56-0)

Guidance literature:

Methylester (IV) (R=CH3), PCl5;

upstream raw materials:

5-Methoxy-2-sulfo-benzoic acid methyl ester

5-Methoxy-1,1-dioxo-1H-1λ⁶-benzo[c][1,2]oxathiol-3-one

Downstream raw materials:

2-Dimethylsulfamoyl-5-methoxy-benzoic acid methyl ester

5-methoxysaccharin