Benzoic acid, 4-[[(4-chlorophenyl)methylamino]sulfonyl]-

Base Information

• Chemical Name: Benzoic acid, 4-[[(4-chlorophenyl)methylamino]sulfonyl]-
• CAS No.: 668261-31-2
• Molecular Formula: C14H12ClNO4S
• Molecular Weight: 325.773
• DSSTox Substance ID: DTXSID10360788
• Wikidata: Q82142722

Synonyms:Benzoic acid, 4-[[(4-chlorophenyl)methylamino]sulfonyl]-;668261-31-2;DTXSID10360788;AKOS008958848;SR-01000365861;SR-01000365861-1

Chemical Property of Benzoic acid, 4-[[(4-chlorophenyl)methylamino]sulfonyl]-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 325.0175567
• Heavy Atom Count: 21
• Complexity: 446

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)Cl

Technology Process of Benzoic acid, 4-[[(4-chlorophenyl)methylamino]sulfonyl]-

There total 2 articles about Benzoic acid, 4-[[(4-chlorophenyl)methylamino]sulfonyl]- 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: 55.0%

→ 4-(N-(4-chlorophenyl)-N-methylsulfamoyl)benzoic acid (668261-31-2)

Guidance literature:

In methanol; at 0 - 20 ℃; for 15h;

Reference yield:

p-carboxyphenylsulfonyl chloride (10130-89-9) + N-methyl(p-chloroaniline) (932-96-7) → 4-(N-(4-chlorophenyl)-N-methylsulfamoyl)benzoic acid (668261-31-2)

Guidance literature:

In methanol; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2006.09.044

Reference yield:

4-(N-(4-chlorophenyl)-N-methylsulfamoyl)benzoic acid (668261-31-2) → 4-{ [ (4-CHLOROPHENYL) (methyl) amino] SULFONYL} benzoyl chloride (666859-77-4)

Guidance literature:

DOI:10.1016/j.bmcl.2006.09.044

upstream raw materials:

p-carboxyphenylsulfonyl chloride

N-methyl(p-chloroaniline)

Downstream raw materials:

4-{ [ (4-CHLOROPHENYL) (methyl) amino] SULFONYL} benzoyl chloride

N-(4-BROMO-2-CYANOPHENYL)-4-{ [ (4-chlorophenyl) (methyl) amino] sulfonyl} benzamide

C₂₂H₁₈BrClN₂O₄S

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