N-[3-Bromopropyl]-p-toluenesulfonanilide

Base Information

• Chemical Name: N-[3-Bromopropyl]-p-toluenesulfonanilide
• CAS No.: 737-14-4
• Molecular Formula: C16H18 Br N O2 S
• Molecular Weight: 368.29
• NSC Number: 84606
• DSSTox Substance ID: DTXSID60292686
• Wikidata: Q82031092
• Mol file: 737-14-4.mol

Synonyms:N-[3-Bromopropyl]-p-toluenesulfonanilide;737-14-4;N-(3-Bromopropyl)-4-methyl-N-phenylbenzenesulfonamide;NSC84606;NCIOpen2_009331;DTXSID60292686;MPNVXJNVUADUDJ-UHFFFAOYSA-N;NSC-84606;N-(3-Bromopropyl)-4-methyl-N-phenylbenzenesulfonamide #

Chemical Property of N-[3-Bromopropyl]-p-toluenesulfonanilide

Chemical Property:

• Vapor Pressure: 5.2E-09mmHg at 25°C
• Melting Point: 66 °C(Solv: water (7732-18-5); methanol (67-56-1))
• Boiling Point: 470.1°C at 760 mmHg
• PKA: -2.04±0.50(Predicted)
• Flash Point: 238.1°C
• PSA: 45.76000
• Density: 1.418g/cm³
• LogP: 5.05610
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 367.02416
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCCBr)C2=CC=CC=C2

Technology Process of N-[3-Bromopropyl]-p-toluenesulfonanilide

There total 2 articles about N-[3-Bromopropyl]-p-toluenesulfonanilide 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:

phenyl toluenesulfonamide (68-34-8) + 1,3-dibromo-propane (109-64-8) → N-(3-bromo-propyl)-toluene-4-sulfonanilide (737-14-4) + N,N'-propanediyl-bis-toluene-4-sulfonanilide (121677-21-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9570004174

Reference yield:

→ N-(3-bromo-propyl)-toluene-4-sulfonanilide (737-14-4)

Guidance literature:

Toluol-sulfonanilid-(4), 1,3-Dibrompropan, K2CO3, Dimethylsulfoxid, 3Tage, 20grad;

DOI:10.1002/jps.2600531107

Reference yield: 83.0%

N-(3-bromo-propyl)-toluene-4-sulfonanilide (737-14-4) → N,N'-hexanediyl-bis-toluene-4-sulfonanilide

Guidance literature:

With Ni⁽⁰⁾*2EC*Py complex; In acetonitrile; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jo401936v

upstream raw materials:

phenyl toluenesulfonamide

1,3-dibromo-propane