4-Cyano-N,N-dipropylbenzene-1-sulfonamide

Base Information

• Chemical Name: 4-Cyano-N,N-dipropylbenzene-1-sulfonamide
• CAS No.: 10252-86-5
• Molecular Formula: C13H18N2O2S
• Molecular Weight: 266.364
• DSSTox Substance ID: DTXSID00592990
• Wikidata: Q82487364
• Mol file: 10252-86-5.mol

Synonyms:10252-86-5;SCHEMBL7877326;DTXSID00592990;AKOS000179863;4-Cyano-N,N-dipropylbenzene-1-sulfonamide

Chemical Property of 4-Cyano-N,N-dipropylbenzene-1-sulfonamide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 266.10889899
• Heavy Atom Count: 18
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C#N

Technology Process of 4-Cyano-N,N-dipropylbenzene-1-sulfonamide

There total 5 articles about 4-Cyano-N,N-dipropylbenzene-1-sulfonamide 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: 55.0%

4-morpholinoacetonitrile (5807-02-3) + 4-[(dipropylamino)sulfonyl]benzoic acid (57-66-9) → 4-cyano-N,N-dipropylbenzenesulfonamide (10252-86-5)

Guidance literature:

With 3,4-thiene-2,3-diylbis(dicyclohexylphosphine); nickel(II) acetate tetrahydrate; sodium carbonate; In 1,4-dioxane; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0040-1705943

Reference yield:

trimethylsilyl cyanide (7677-24-9) + 4-(dipropylsulfamoyl)-benzoyl chloride (29171-72-0) → 4-cyano-N,N-dipropylbenzenesulfonamide (10252-86-5)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; triphenylphosphine; In toluene; at 110 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02398

Reference yield:

di-n-propylamine (142-84-7) + p-cyanobenzenesulfonyl chloride (49584-26-1) → 4-cyano-N,N-dipropylbenzenesulfonamide (10252-86-5)

Guidance literature:

upstream raw materials:

di-n-propylamine

p-cyanobenzenesulfonyl chloride

trimethylsilyl cyanide

4-(dipropylsulfamoyl)-benzoyl chloride