N-(3-bromopropyl)benzenesulfonamide

Base Information

• Chemical Name: N-(3-bromopropyl)benzenesulfonamide
• CAS No.: 3245-94-1
• Molecular Formula: C9H12BrNO2S
• Molecular Weight: 278.17
• DSSTox Substance ID: DTXSID90408278
• Wikidata: Q82213699
• Mol file: 3245-94-1.mol

Synonyms:N-(3-bromopropyl)benzenesulfonamide;3245-94-1;SCHEMBL14104604;DTXSID90408278;AKOS009289078

Chemical Property of N-(3-bromopropyl)benzenesulfonamide

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 276.97721
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-bromopropyl)benzenesulfonamide

There total 4 articles about N-(3-bromopropyl)benzenesulfonamide 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: 97.0%

3-bromopropylamine hydrochloride (5003-71-4) + benzenesulfonyl chloride (98-09-9) → N-(3-bromo-propyl)-benzenesulfonamide (3245-94-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1016/j.ejmech.2016.10.043

Reference yield: 51.0%

→ N-(3-bromo-propyl)-benzenesulfonamide (3245-94-1)

Guidance literature:

Reference yield:

N-<3-Hydroxy-propyl>-benzolsulfonsaeure-amid (3351-94-8) → N-(3-bromo-propyl)-benzenesulfonamide (3245-94-1)

Guidance literature:

With phosphorus tribromide; In 1,2-dichloro-ethane;

DOI:10.1021/jm00327a017

upstream raw materials:

N-<3-Hydroxy-propyl>-benzolsulfonsaeure-amid

benzenesulfonyl chloride

3-bromopropylamine hydrochloride

Downstream raw materials:

1-benzenesulfonylazetidine

N-(benzenesulfonyl)-N'-(p-toluenesulfonyl)bis(3-aminopropyl)cyclohexylmethylamine

9-cyclohexylmethyl-1-(benzenesulfonyl)-3-methylene-5-(p-toluenesulfonyl)-1,5,9-triazacyclododecane

N-(benzenesulfonyl)-N'-(p-toluenesulfonyl)bis(3-aminopropyl)cyclohexylmethylamine hydrochloride