N-(3-aminopropyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(3-aminopropyl)-4-methylbenzenesulfonamide
• CAS No.: 56125-49-6
• Molecular Formula: C10H16N2O2S
• Molecular Weight: 228.315
• ChEMBL ID: CHEMBL2448847
• DSSTox Substance ID: DTXSID70572840
• Nikkaji Number: J870.688C
• Wikidata: Q82461334
• Mol file: 56125-49-6.mol

Synonyms:N-(3-aminopropyl)-4-methylbenzenesulfonamide;56125-49-6;N-(3-Aminopropyl)-4-methylbenzene-1-sulfonamide;CHEMBRDG-BB 7371746;tosyltrimethylenediamine;SCHEMBL7628596;CHEMBL2448847;DTXSID70572840;MFCD03634548;AKOS000202174;BS-38058;EN300-57715;G54661

Chemical Property of N-(3-aminopropyl)-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 7.18E-06mmHg at 25°C
• Boiling Point: 376.6°C at 760 mmHg
• Flash Point: 181.5°C
• Density: 1.182g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

99% ^*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)NCCCN

Technology Process of N-(3-aminopropyl)-4-methylbenzenesulfonamide

There total 7 articles about N-(3-aminopropyl)-4-methylbenzenesulfonamide 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: 84.0%

Trimethylenediamine (109-76-2,54018-94-9) + p-toluenesulfonyl chloride (98-59-9) → N-(3-aminopropyl)-p-toluenesulfonamide (56125-49-6)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 10h;

DOI:10.1016/j.jinorgbio.2013.01.013

Reference yield: 81.0%

Trimethylenediamine (109-76-2,54018-94-9) + p-toluenesulfonyl chloride (98-59-9) → N,N'-ditoluenesulfonyl-1,3-diaminopropane (53364-99-1) + N-(3-aminopropyl)-p-toluenesulfonamide (56125-49-6)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b01832

Reference yield: 70.0%

N-(N3-p-toluenesulfonyl)-3-aminopropylphthalimide (38353-77-4) → N-(3-aminopropyl)-p-toluenesulfonamide (56125-49-6)

Guidance literature:

With hydrazine hydrate; In ethanol; for 1h; Heating;

DOI:10.1002/hlca.19910740322

upstream raw materials:

N-(N³-p-toluenesulfonyl)-3-aminopropylphthalimide

Trimethylenediamine

p-toluenesulfonyl chloride

N,N'-ditoluenesulfonyl-1,3-diaminopropane

Downstream raw materials:

2-Phenyl-N-[3-(toluene-4-sulfonylamino)-propyl]-acetamide

Pent-4-enoic acid [3-(toluene-4-sulfonylamino)-propyl]-amide

Pent-4-ynoic acid [3-(toluene-4-sulfonylamino)-propyl]-amide

(E)-3-Phenyl-N-<3-<(toluene-4-sulfonyl)amino>propyl>prop-2-enamide