N,N-dimethyl-4-nitrobenzenesulfonamide

Base Information

• Chemical Name: N,N-dimethyl-4-nitrobenzenesulfonamide
• CAS No.: 17459-03-9
• Molecular Formula: C8H10 N2 O4 S
• Molecular Weight: 230.244
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80372671
• Nikkaji Number: J2.648.168F
• Wikidata: Q82160505
• Mol file: 17459-03-9.mol

Synonyms:N,N-dimethyl-4-nitrobenzenesulfonamide;17459-03-9;N1,N1-dimethyl-4-nitrobenzene-1-sulfonamide;4-(N,N-Dimethylaminosulfonyl)nitrobenzene;Oprea1_081874;SCHEMBL1164063;DTXSID80372671;ZCWXRMBVAKOURU-UHFFFAOYSA-N;MFCD00277215;AKOS002968950;SB77098;4-nitrobenzenesulphonic acid-dimethylamide;AS-65908;N,N-dimethyl-4-nitrobenzene-1-sulfonamide;CS-0059967;W17519;Z45527535

Chemical Property of N,N-dimethyl-4-nitrobenzenesulfonamide

Chemical Property:

• PSA: 91.58000
• LogP: 2.44910
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethyl-4-nitrobenzenesulfonamide ^*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)[N+](=O)[O-]

Technology Process of N,N-dimethyl-4-nitrobenzenesulfonamide

There total 10 articles about N,N-dimethyl-4-nitrobenzenesulfonamide 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: 96.0%

dimethyl amine (124-40-3) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → 4-(N,N-dimethylaminosulfonyl)nitrobenzene (17459-03-9)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield: 86.0%

3-(Dimethylaminomethyl)indole (87-52-5) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → 4-(N,N-dimethylaminosulfonyl)nitrobenzene (17459-03-9)

Guidance literature:

With triethylamine; In acetonitrile; at 25 ℃; for 24h;

Reference yield: 86.0%

N-methyl-4-nitro-benzenesulfonamide (6319-45-5) + trimethylsulfoxonium iodide (1774-47-6) → 4-(N,N-dimethylaminosulfonyl)nitrobenzene (17459-03-9)

Guidance literature:

With aluminum oxide; potassium hydroxide; at 130 ℃; for 0.0666667h; microwave irradiation;

DOI:10.1080/00397910802045600

upstream raw materials:

dimethyl amine

4-Nitrobenzenesulfonyl chloride

N,N-dimethylammonium chloride

N-methyl-4-nitro-benzenesulfonamide

Downstream raw materials:

4-amino-N,N-dimethylbenzenesulphonamide

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.