Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate
• CAS No.: 60638-81-5
• Molecular Formula: C8H7ClO5S
• Molecular Weight: 250.66
• Hs Code.: 2918290000
• European Community (EC) Number: 821-913-8
• DSSTox Substance ID: DTXSID30503317
• Wikidata: Q82357028
• Mol file: 60638-81-5.mol

Synonyms:methyl 5-(chlorosulfonyl)-2-hydroxybenzoate;60638-81-5;Methyl 5-chlorosulfonyl-2-hydroxybenzoate;Benzoic acid, 5-(chlorosulfonyl)-2-hydroxy-, methyl ester;Methyl5-(chlorosulfonyl)-2-hydroxybenzoate;SCHEMBL1647307;DTXSID30503317;JCUQSWVHGVRETC-UHFFFAOYSA-N;GS3082;MFCD11857789;AKOS015891163;BS-14110;Methyl 3-Chlorosulfonyl-6-hydroxybenzoate;CS-0311470;EN300-41123;W11385;5-Chlorosulfonyl-2-hydroxy-benzoic acid methyl ester

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

Chemical Property:

• PSA: 89.05000
• LogP: 2.18710
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.9702722
• Heavy Atom Count: 15
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate 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: 93.0%

methyl salicylate (119-36-8,8024-54-2) → 5-chlorosulfonyl-2-hydroxy-benzoicacid methylester (60638-81-5)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; at 0 - 20 ℃; for 20.5h;

Reference yield: 77.5%

methyl-2-isopropoxybenzoate (57009-13-9) → 5-chlorosulfonyl-2-hydroxy-benzoicacid methylester (60638-81-5)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; at 0 - 20 ℃; for 12h;

Reference yield:

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 5-chlorosulfonyl-2-hydroxy-benzoicacid methylester (60638-81-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 18 h / Reflux

2: thionyl chloride; chlorosulfonic acid / 18 h / -10 - 20 °C

With chlorosulfonic acid; thionyl chloride; sulfuric acid;

upstream raw materials:

methyl salicylate

salicylic acid

methyl-2-isopropoxybenzoate

Downstream raw materials:

2-hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid methyl ester

4-Hydroxy-4'-methoxy-diphenylsulfon-carbonsaeure-⁽³⁾

methyl 5-[[4-(2-aminoethyl)-phenyl]sulfonyl]-2-hydroxybenzoate hydrochloride

methyl (R)-2-hydroxy-5-[[4-[2-[(trifluoroacetyl)amino]propyl]phenyl]sulfonyl]benzoate

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