4-Bromo-N,N-dimethylbenzenesulfonamide

Base Information

• Chemical Name: 4-Bromo-N,N-dimethylbenzenesulfonamide
• CAS No.: 707-60-8
• Molecular Formula: C8H10BrNO2S
• Molecular Weight: 264.143
• Hs Code.: 2935009090
• European Community (EC) Number: 676-965-2
• NSC Number: 406130
• UNII: YF3K42EQT3
• DSSTox Substance ID: DTXSID00220968
• Nikkaji Number: J41.381J
• Wikidata: Q72454862
• Mol file: 707-60-8.mol

Synonyms:4-Bromo-N,N-dimethylbenzenesulfonamide;707-60-8;4-Bromo-N,N-DiMethyl-Benzenesulfonamide;n,n-dimethyl 4-bromobenzenesulfonamide;p-Bromo-N,N-dimethylbenzenesulfonamide;Benzenesulfonamide, 4-bromo-N,N-dimethyl-;BENZENESULFONAMIDE, p-BROMO-N,N-DIMETHYL-;C8H10BrNO2S;N,N-Dimethyl-4-bromobenzenesulfonamide;MFCD00017834;NSC 406130;BRN 2838162;AI3-01459;4-Bromobenzenedimethylsulfonamide;NSC-406130;4-bromo-n,n-dimethylbenzene-1-sulfonamide;NSC406130;4-bromo-n,n-dimethylbenzenesulphonamide;WLN: ER DSWN1&1;YF3K42EQT3;SCHEMBL116525;4-bromo-dimethylsulfamoylbenzene;4-bromobenzenedimethyl-sulfonamide;DTXSID00220968;CS-D1174;N,N-dimethyl4-bromobenzenesulfonamide;STL071229;AKOS000504280;n,n-dimethyl-4-bromophenyl sulfonamide;N,N-Dimethyl-p-bromobenzenesulfonamide;AB01244;AM87156;PS-5475;LS-31310;SY025529;4-bromanyl-N,N-dimethyl-benzenesulfonamide;4-Bromo-N,N-dimethylbenzenesulphonamide 97%;A9312;FT-0632855;EN300-303848;A836985;Z45527534

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

Chemical Property:

• Melting Point: 88-90 °C
• Boiling Point: 329 °C at 760 mmHg
• PKA: -5.11±0.70(Predicted)
• Flash Point: 152.8 °C
• PSA: 45.76000
• Density: 1.543 g/cm³
• LogP: 2.78020
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 262.96156
• Heavy Atom Count: 13
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethyl4-bromobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 10 articles about 4-Bromo-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: 99.0%

4-bromo-benzenesulfonic acid amide (701-34-8) + dimethyl sulfate (77-78-1) → 4-bromo-N,N-dimethylbenzenesulfonamide (707-60-8)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; potassium carbonate; In acetonitrile; for 3h; Reflux;

DOI:10.1002/cmdc.201900719

Reference yield: 98.0%

4-amino-N,N-dimethylbenzenesulphonamide (1709-59-7) → 4-bromo-N,N-dimethylbenzenesulfonamide (707-60-8)

Guidance literature:

4-amino-N,N-dimethylbenzenesulphonamide; With Bromotrichloromethane; sodium nitrite; In dichloromethane; water; at 23 ℃; for 0.0833333h;

With acetic acid; In dichloromethane; water; at 23 ℃; for 1h;

DOI:10.1021/acs.orglett.7b00771

Reference yield: 97.0%

dimethyl amine (124-40-3) + 4-bromobenzenesulfonyl chloride (98-58-8) → 4-bromo-N,N-dimethylbenzenesulfonamide (707-60-8)

Guidance literature:

dimethyl amine; With triethylamine; In tetrahydrofuran; dichloromethane; at 0 ℃;

4-bromobenzenesulfonyl chloride; In tetrahydrofuran; dichloromethane; at 20 ℃;

upstream raw materials:

bromobenzene

dimethyl amine

4-bromobenzenesulfonyl chloride

para-bromobenzenethiol

Downstream raw materials:

N,N-Dimethyl-4-brombenzolsulfamid

N,N-dimethyl 4-(pyridin-3-yl)benzenesulfonamide

Refernces

• 1、 Fu, Ying,Wu, Qing-Kui,Du, Zhengyin. "Debenzylative Sulfonylation of Tertiary Benzylamines Promoted by Visible Light". supporting information. p. 1896 - 1900. Retrieved 2021/04/06.
• 2、 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.