Methyl 2-chloro-5-(chlorosulfonyl)benzoate

Base Information

• Chemical Name: Methyl 2-chloro-5-(chlorosulfonyl)benzoate
• CAS No.: 924859-46-1
• Molecular Formula: C₈H₆Cl₂O₄S
• Molecular Weight: 269.105
• European Community (EC) Number: 836-387-5

Synonyms:methyl 2-chloro-5-(chlorosulfonyl)benzoate;924859-46-1;methyl 2-chloro-5-chlorosulfonylbenzoate;SCHEMBL18547926;GS3138;AKOS002671088;BS-33169;methyl2-chloro-5-(chlorosulfonyl)benzoate;CS-0208245;EN300-54853

Chemical Property of Methyl 2-chloro-5-(chlorosulfonyl)benzoate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 267.9363852
• Heavy Atom Count: 15
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-chloro-5-(chlorosulfonyl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 2-chloro-5-(chlorosulfonyl)benzoate

There total 1 articles about Methyl 2-chloro-5-(chlorosulfonyl)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:

methyl 2-chloro-5-aminobenzoate (42122-75-8) → C8H6Cl2O4S (924859-46-1)

Guidance literature:

methyl 2-chloro-5-aminobenzoate; With hydrogenchloride; acetic acid; sodium nitrite; In water; at 0 ℃; for 0.75h;

With sulfur dioxide; acetic acid; copper dichloride; In water; at -5 - 20 ℃; for 12h;

Reference yield: 80.0%

C8H6Cl2O4S (924859-46-1) + {5-[6-(5-amino-6-methoxypyridin-3-yl)-7-methylthieno[3,2-d]pyrimidin-4-yl]thiophen-2-ylmethyl}carbamic acid tert-butyl ester (1414473-75-8) → C31H30ClN5O7S3 (1414474-29-5)

Guidance literature:

With pyridine; at 0 - 20 ℃; for 3.5h;

DOI:10.1021/acsmedchemlett.1c00412

Reference yield:

C8H6Cl2O4S (924859-46-1) → 4-chloro-3-methoxy-carbonylbenzenesulfonamide (61508-36-9)

Guidance literature:

With ammonia; In tetrahydrofuran; water; at 0 ℃; for 0.25h;

upstream raw materials:

methyl 2-chloro-5-aminobenzoate

Downstream raw materials:

4-chloro-3-methoxy-carbonylbenzenesulfonamide

C₃₁H₃₀ClN₅O₇S₃

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