4-Acetamido-3-bromobenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-Acetamido-3-bromobenzene-1-sulfonyl chloride
• CAS No.: 88963-75-1
• Molecular Formula: C8H7BrClNO3S
• Molecular Weight: 312.571
• DSSTox Substance ID: DTXSID50602750
• Wikidata: Q82499919
• Mol file: 88963-75-1.mol

Synonyms:88963-75-1;4-acetamido-3-bromobenzenesulfonyl chloride;Benzenesulfonyl chloride, 4-(acetylamino)-3-bromo-;3-bromo-4-acetamidobenzene-1-sulfonyl chloride;4-Acetamido-3-bromobenzene-1-sulfonyl chloride;4-(Acetylamino)-3-bromobenzenesulfonyl Chloride;SCHEMBL20766191;DTXSID50602750;GS3161;MFCD09804277;AKOS000158150;AT27130;4-Acetylamino-3-bromobenzenesulfonyl chloride;3-bromo-4-acetamidobenzene-1-sulfonylchloride;4-Acetylamino-3-bromo-benzenesulfonyl chloride;EN300-157548;3-BROMO-4-ACETAMIDOBENZENESULFONYL CHLORIDE

Chemical Property of 4-Acetamido-3-bromobenzene-1-sulfonyl chloride

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 310.90185
• Heavy Atom Count: 15
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Br

Technology Process of 4-Acetamido-3-bromobenzene-1-sulfonyl chloride

There total 1 articles about 4-Acetamido-3-bromobenzene-1-sulfonyl chloride 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:

N-acetyl-2-bromoaniline (614-76-6) → 4-acetamido-3-bromobenzene-1-sulfonyl chloride (88963-75-1)

Guidance literature:

With chlorosulfonic acid; at 80 - 85 ℃; for 4h;

DOI:10.1021/jm021123s

Reference yield: 67.2%

methylamine (74-89-5) + 4-acetamido-3-bromobenzene-1-sulfonyl chloride (88963-75-1) → N-(2-bromo-4-(N-methylsulfamoyl)phenyl)acetamide

Guidance literature:

In ethanol; dichloromethane; at 0 - 20 ℃; for 4h;

Reference yield:

4-acetamido-3-bromobenzene-1-sulfonyl chloride (88963-75-1) → 3,5-dibromosulfanilamide (39150-45-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NH₄OH / 0.5 h / 70 °C

2: aq. HCl / 0.75 h / Heating

3: aq. HBr; H₂O₂ / 2 h / 85 °C

With hydrogenchloride; ammonium hydroxide; hydrogen bromide; dihydrogen peroxide;

DOI:10.1021/jm021123s

upstream raw materials:

N-acetyl-2-bromoaniline

Downstream raw materials:

N-[2-bromo-4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide

4-acetylamino-3-bromo-benzenesulfonic acid amide

3,5-dibromosulfanilamide

4-amino-3-bromo-benzenesulfonamide

Refernces

• 1、 -. "TEAD INHIBITORS AND USES THEREOF". Paragraph 00465; 00494. . Retrieved 2020/12/11.