4-fluoro-N,N-dimethylbenzenesulfonamide

Base Information

• Chemical Name: 4-fluoro-N,N-dimethylbenzenesulfonamide
• CAS No.: 383-31-3
• Molecular Formula: C8H10FNO2S
• Molecular Weight: 203.237
• Hs Code.: 2935909099
• DSSTox Substance ID: DTXSID20355403
• Nikkaji Number: J3.311.066I
• Wikidata: Q82134283
• Mol file: 383-31-3.mol

Synonyms:4-fluoro-N,N-dimethylbenzenesulfonamide;383-31-3;N,N-Dimethyl 4-fluorobenzenesulfonamide;MFCD01211990;SCHEMBL642787;DTXSID20355403;STK078373;AKOS003265996;AM86923;N,N-Dimethyl-p-fluorobenzenesulfonamide;SB77509;4-Fluoro-N,N-dimethyl-benzenesulfonamide;DS-17680;SY096663;4-fluoro-N,N-dimethyl-benzene sulfonamide;4-fluoro-N,N-dimethyl-1-benzenesulfonamide;CS-0042877;4-fluoro-1-(N,N-dimethylaminosulfonyl)benzene;N11559;A873861;Z45527550

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

Chemical Property:

• Boiling Point: 279.6±42.0 °C(Predicted)
• PKA: -4.87±0.70(Predicted)
• PSA: 45.76000
• Density: 1.276±0.06 g/cm3(Predicted)
• LogP: 2.15680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.04162790
• Heavy Atom Count: 13
• Complexity: 250

Purity/Quality:

98.5% ^*data from raw suppliers

N,N-Dimethyl4-fluorobenzenesulfonamide ^*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)F

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

There total 9 articles about 4-fluoro-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: 100.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) + dimethyl amine (124-40-3) → 4-fluoro-1-(N,N-dimethylaminosulfonyl)benzene (383-31-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; water; at 20 ℃; for 0.333333h;

Reference yield: 92.0%

N,N,N,N,-tetramethylethylenediamine (110-18-9) + 4-Fluorobenzenesulfonyl chloride (349-88-2) → 4-fluoro-1-(N,N-dimethylaminosulfonyl)benzene (383-31-3)

Guidance literature:

With calcium hydride; In acetonitrile; at 90 ℃; for 1h; regiospecific reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201800591

Reference yield: 90.0%

4-Fluorothiophenol (371-42-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-fluoro-1-(N,N-dimethylaminosulfonyl)benzene (383-31-3)

Guidance literature:

With copper diacetate; Cinnamic acid; copper(l) chloride; at 110 ℃; for 24h;

DOI:10.1039/c4cc01353k

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

dimethyl amine

N,N-dimethylammonium chloride

4-Fluorothiophenol

Downstream raw materials:

tert-butyl [(S)-1-(4-dimethylsulfamoylphenyl)-pyrrolidin-3-yl]carbamate

4-mercapto-N,N-dimethylbenzenesulfonamide

{4-chloro-2-[(5-dimethylaminosulfonyl-2-fluorophenyl)ethynyl]phenoxy}acetic acid

ethyl 4-{4-[(dimethylamino)sulfonyl]phenoxy}-2-methyl-2H-indazole-6-carboxylate

Refernces

• 1、 Chen, Gen-Qiang,Xia, Yan-Fei,Yang, Jin-Ming,Che, Zhi-Ping,Sun, Di,Li, Shen,Tian, Yue-E,Liu, Sheng-Ming,Jiang, Jia,Lin, Xiao-Min. "Controlled synthesis of N, N-dimethylarylsulfonamide derivatives as nematicidal agents". . p. 1197 - 1206. Retrieved 2019/12/03.
• 2、 Bao, Xiaodong,Rong, Xiaona,Liu, Zhiguo,Gu, Yugui,Liang, Guang,Xia, Qinqin. "Potassium tert-butoxide-mediated metal-free synthesis of sulfonamides from sodium sulfinates and N,N-disubstituted formamides". supporting information. p. 2853 - 2858. Retrieved 2018/06/25.