3-Bromomethylbenzenesulfonamide

Base Information

• Chemical Name: 3-Bromomethylbenzenesulfonamide
• CAS No.: 220798-52-7
• Molecular Formula: C7H8BrNO2S
• Molecular Weight: 250.116
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00604744
• Wikidata: Q72446674
• Mol file: 220798-52-7.mol

Synonyms:3-Bromomethylbenzenesulfonamide;220798-52-7;3-(bromomethyl)benzenesulfonamide;3-Bromomethyl-benzenesulfonamide;3-(bromomethyl)benzene-1-sulfonamide;MFCD09743699;Benzenesulfonamide, 3-(bromomethyl)-;SCHEMBL2181186;DTXSID00604744;HWNIOOLFFGHZMF-UHFFFAOYSA-N;BBL102267;STL556066;AKOS015920251;DS-1429;AM100529;SY106687;EN300-1602002;J-512114

Chemical Property of 3-Bromomethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.13E-06mmHg at 25°C
• Boiling Point: 402°C at 760 mmHg
• Flash Point: 196.9°C
• PSA: 68.54000
• Density: 1.691g/cm³
• LogP: 3.01000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.94591
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

3-Bromomethylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)CBr

Technology Process of 3-Bromomethylbenzenesulfonamide

There total 4 articles about 3-Bromomethylbenzenesulfonamide 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: 94.0%

3-(hydroxymethyl)benzenesulfonamide (220798-42-5) → 3-(bromomethyl)benzenesulfonamide (220798-52-7)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 20 ℃;

Reference yield:

3-Carboxybenzenesulfonyl chloride (4025-64-3) → 3-(bromomethyl)benzenesulfonamide (220798-52-7)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydroxide / 2 h / 20 °C

2: borane-THF / tetrahydrofuran / 4 h / 0 - 20 °C

3: phosphorus tribromide / dichloromethane / 16 h / 20 °C

With ammonium hydroxide; borane-THF; phosphorus tribromide; In tetrahydrofuran; dichloromethane;

Reference yield:

3-sulfamoylbenzoic acid (636-76-0) → 3-(bromomethyl)benzenesulfonamide (220798-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: borane-THF / tetrahydrofuran / 4 h / 0 - 20 °C

2: phosphorus tribromide / dichloromethane / 16 h / 20 °C

With borane-THF; phosphorus tribromide; In tetrahydrofuran; dichloromethane;

upstream raw materials:

3-(hydroxymethyl)benzenesulfonamide

3-Carboxybenzenesulfonyl chloride

3-sulfamoylbenzoic acid

benzoic acid

Refernces

• 1、 -. "HETEROCYCLIC SULFONYLAMINO(THIO)CARBONYL-DERIVATIVES WITH NEMATICIDAL PROPERTIES". Page/Page column 144. . Retrieved 2015/02/02.