3,4-Dimethylbenzenesulfonamide

Base Information

• Chemical Name: 3,4-Dimethylbenzenesulfonamide
• CAS No.: 6326-18-7
• Molecular Formula: C8H11 N O2 S
• Molecular Weight: 185.24344
• Hs Code.: 2935009090
• NSC Number: 31194
• DSSTox Substance ID: DTXSID40283395
• Nikkaji Number: J99.493F
• Wikidata: Q82017946
• ChEMBL ID: CHEMBL172075
• Mol file: 6326-18-7.mol

Synonyms:3,4-Dimethylbenzenesulfonamide;6326-18-7;3,4-Dimethyl-benzenesulfonamide;3,4-dimethylbenzene-1-sulfonamide;3,4-Xylenesulfonamide;Benzenesulfonamide, 3,4-dimethyl-;MFCD01365035;NSC31194;SCHEMBL233320;CHEMBL172075;3,4-Dimethylbenzenesulfonamide #;DTXSID40283395;3,4-Dimethyl-1-benzenesulfonamide;GS1074;NSC 31194;NSC-31194;STL470609;AKOS003858322;FS-2347;3,4-dimethyl-benzenesulfonamide, AldrichCPR;EN300-04230;Z45415587;F2199-0296

Chemical Property of 3,4-Dimethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.78E-05mmHg at 25°C
• Boiling Point: 349.2°C at 760 mmHg
• Flash Point: 165°C
• PSA: 68.54000
• Density: 1.227g/cm³
• LogP: 2.73190
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

3,4-dimethylbenzene-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethylbenzenesulfonamide

There total 4 articles about 3,4-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:

→ 3,4-dimethylbenzenesulfonamide (6326-18-7)

Guidance literature:

DOI:10.1021/ja01857a055

Reference yield:

o-xylene (95-47-6) → 3,4-dimethylbenzenesulfonamide (6326-18-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulphuric acid / 1) 0 deg C; 2) room temperature, 2 h

2: ammonia / acetone; H₂O / Ambient temperature

With chlorosulphuric acid; ammonia; In water; acetone;

Reference yield:

→ 3,4-dimethylbenzenesulfonamide (6326-18-7)

Guidance literature:

upstream raw materials:

3,4-dimethylbenzenesulfonyl chloride

o-xylene

Downstream raw materials:

N-([(4-chlorophenyl)amino]carbonyl)-3,4-dimethylbenzenesulfonamide

Refernces

• 1、 Ojha, Subhadra,Panda, Niranjan. "Palladium-Catalyzed ortho-Benzoylation of Sulfonamides through C?H Activation: Expedient Synthesis of Cyclic N-Sulfonyl Ketimines". . p. 561 - 571. Retrieved 2019/12/24.