N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide
• CAS No.: 850429-72-0
• Molecular Formula: C₉H₁₂BrNO₂S
• Molecular Weight: 278.17
• DSSTox Substance ID: DTXSID40428446
• Wikidata: Q82241280
• Mol file: 850429-72-0.mol

Synonyms:N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide;850429-72-0;3-bromo-N,N,4-trimethylbenzenesulfonamide;N,N-DIMETHYL3-BROMO-4-METHYLBENZENESULFONAMIDE;SCHEMBL1369561;N,N-DIMETHYL-3-BROMO-4-METHYLBENZENESULFONAMIDE;DTXSID40428446;RCPZZSIJSKYSNK-UHFFFAOYSA-N;MFCD07363837;AKOS015834620;AB30874;BS-25906;CS-0212986;3-BROMO-N,N,4-TRIMETHYLBENZENE-1-SULFONAMIDE;Z1269171545

Chemical Property of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.2E-05mmHg at 25°C
• Boiling Point: 351.1°C at 760 mmHg
• PKA: -4.88±0.70(Predicted)
• Flash Point: 166.1°C
• PSA: 45.76000
• Density: 1.484g/cm³
• LogP: 3.08860
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.97721
• Heavy Atom Count: 14
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide ^*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)C)Br

Technology Process of N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide

There total 1 articles about N,N-Dimethyl 3-bromo-4-methylbenzenesulfonamide 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: 93.0%

N,N,4-trimethylbenzenesulfonamide (599-69-9) → N,N-dimethyl-3-bromo-4-methylbenzenesulfonamide (850429-72-0)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; at 20 ℃; for 3h; Cooling with ice;

Reference yield:

tert-butyl (4-chloro-2-ethynylphenoxy)acetate (1240286-83-2) + N,N-dimethyl-3-bromo-4-methylbenzenesulfonamide (850429-72-0) → {4-chloro-2-[(5-dimethylaminosulfonyl-2-methylphenyl)ethynyl]phenoxy}acetic acid (1240285-89-5)

Guidance literature:

tert-butyl (4-chloro-2-ethynylphenoxy)acetate; N,N-dimethyl-3-bromo-4-methylbenzenesulfonamide; With piperidine; trans-bis(triphenylphosphine)palladium dichloride; at 70 ℃; for 18h;

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 20 ℃;

DOI:10.1021/jm200866y

upstream raw materials:

N,N,4-trimethylbenzenesulfonamide

Downstream raw materials:

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

Refernces