Methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate

Base Information

• Chemical Name: Methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate
• CAS No.: 59256-26-7
• Molecular Formula: C₁₄H₁₂BrNO₄S
• Molecular Weight: 370.224
• DSSTox Substance ID: DTXSID901231877
• Mol file: 59256-26-7.mol

Synonyms:methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate;59256-26-7;Methyl 4-[[(4-bromophenyl)sulfonyl]amino]benzoate;DTXSID901231877;MFCD00587072;STK051153;AKOS000675652

Chemical Property of Methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 368.96704
• Heavy Atom Count: 21
• Complexity: 446

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of Methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate

There total 2 articles about Methyl 4-{[(4-bromophenyl)sulfonyl]amino}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: 92.0%

4-bromobenzenesulfonyl chloride (98-58-8) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate (59256-26-7)

Guidance literature:

With pyridine; at 80 ℃; for 1h;

DOI:10.1002/cmdc.202000594

Reference yield:

→ methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate (59256-26-7)

Guidance literature:

entspr. Saeure, Thionylchlorid, Me.;

Reference yield:

methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate (59256-26-7) → 4-((4-bromophenyl)sulfonamido)benzoic acid (126145-99-1)

Guidance literature:

methyl 4-{[(4-bromophenyl)sulfonyl]amino}benzoate; With sodium hydroxide; In water; acetone; for 2h;

With hydrogenchloride; In water; pH=2;

upstream raw materials:

4-bromobenzenesulfonyl chloride

4-methoxycarbonyl aniline

Downstream raw materials:

4-((4-bromophenyl)sulfonamido)benzoic acid

C₁₃H₉BrClNO₃S