4-cyano-N,N-dimethylbenzenesulfonamide

Base Information

• Chemical Name: 4-cyano-N,N-dimethylbenzenesulfonamide
• CAS No.: 63877-94-1
• Molecular Formula: C9H10N2O2S
• Molecular Weight: 210.257
• DSSTox Substance ID: DTXSID30350323
• Wikidata: Q82126188
• Mol file: 63877-94-1.mol

Synonyms:4-cyano-N,N-dimethylbenzenesulfonamide;63877-94-1;4-cyano-N,N-dimethylbenzene-1-sulfonamide;Benzenesulfonamide, 4-cyano-N,N-dimethyl-;HMS1548E07;TimTec1_005023;Oprea1_554067;SCHEMBL2224520;DTXSID30350323;GQEHYPHMHNSIDB-UHFFFAOYSA-N;MFCD00510133;AKOS000186233;AT13558;MS-2303;EN300-41088;Z45527612

Chemical Property of 4-cyano-N,N-dimethylbenzenesulfonamide

Chemical Property:

• Melting Point: 124-127 °C
• Boiling Point: 357.3±44.0 °C(Predicted)
• PKA: -6.11±0.70(Predicted)
• PSA: 69.55000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 1.88938
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.04629874
• Heavy Atom Count: 14
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

4-cyano-N,N-dimethylbenzene-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-cyano-N,N-dimethylbenzenesulfonamide

There total 4 articles about 4-cyano-N,N-dimethylbenzenesulfonamide 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: 98.0%

dimethyl amine (124-40-3) + p-cyanobenzenesulfonyl chloride (49584-26-1) → 4-cyano-N,N-dimethylbenzenesulfonamide (63877-94-1)

Guidance literature:

In tetrahydrofuran; dichloromethane; for 0.5h;

DOI:10.1021/jm070299x

Reference yield: 65.0%

N-methylmethanamine hydrochloride + p-cyanobenzenesulfonyl chloride (49584-26-1) → 4-cyano-N,N-dimethylbenzenesulfonamide (63877-94-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield: 50.0%

bis(1-methyl-1-phenylethyl)peroxide (80-43-3) + 4-cyano-N-methylbenzenesulfonamide (56236-82-9) → 4-cyano-N,N-dimethylbenzenesulfonamide (63877-94-1)

Guidance literature:

With copper acetylacetonate; In acetone; at 120 ℃; for 8h; Sealed tube;

DOI:10.1080/00397911.2020.1859118

upstream raw materials:

sodium cyanide

dimethyl amine

p-cyanobenzenesulfonyl chloride

bis(1-methyl-1-phenylethyl)peroxide

Downstream raw materials:

4-<(Dimethylamino)sulfonyl>benzoic Acid

4-aminomethyl-benzenesulfonic acid dimethylamide

4-formyl-N,N-dimethylbenzene-1-sulfonamide