5-Bromo-N-tert-butyl-2-thiophenesulfonamide

Base Information

• Chemical Name: 5-Bromo-N-tert-butyl-2-thiophenesulfonamide
• CAS No.: 286932-39-6
• Molecular Formula: C₈H₁₂BrNO₂S₂
• Molecular Weight: 298.225
• Hs Code.: 2934999090
• European Community (EC) Number: 670-838-5
• DSSTox Substance ID: DTXSID60373762
• Wikidata: Q72512652
• Mol file: 286932-39-6.mol

Synonyms:286932-39-6;5-Bromo-N-tert-butyl-2-thiophenesulfonamide;N-tert-Butyl 5-bromo-2-thiophenesulfonamide;5-bromo-N-tert-butylthiophene-2-sulfonamide;5-Bromothiophene-2-N-t-butylsulfonamide;2-Thiophenesulfonamide, 5-bromo-N-(1,1-dimethylethyl)-;MFCD01569259;5-bromothiophene-2-n-tert-butylsulfonamide;C8H12BrNO2S2;5-Bromo-N-tert-butyl-2-thiophene-sulfonamide;5-bromo-n-(tert-butyl)thiophene-2-sulphonamide;N-tert-Butyl5-Bromo-2-thiophenesulfonamide;SCHEMBL620433;DTXSID60373762;KWUYZYHIQKPORJ-UHFFFAOYSA-N;CL1311;STK411703;AKOS003344767;AC-3589;CS-W002786;DS-1148;SY007542;A5417;AM20090369;FT-0676301;5-bromo-thiophene-2-sulfonic acid tert-butylamide;5-Bromo-thiophene-2-sulfonic acid tert.-butylamide;J-017194;5-bromo-N-(1,1-dimethylethyl)-2-thiophenesulfonamide

Chemical Property of 5-Bromo-N-tert-butyl-2-thiophenesulfonamide

Chemical Property:

• Vapor Pressure: 1.5E-05mmHg at 25°C
• Melting Point: 62℃
• Refractive Index: 1.565
• Boiling Point: 366.1 °C at 760 mmHg
• PKA: 11.53±0.50(Predicted)
• Flash Point: 175.2 °C
• PSA: 82.79000
• Density: 1.527g/cm³
• LogP: 4.05910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.94928
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-N-tert-butyl-2-thiophenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)C1=CC=C(S1)Br

Technology Process of 5-Bromo-N-tert-butyl-2-thiophenesulfonamide

There total 1 articles about 5-Bromo-N-tert-butyl-2-thiophenesulfonamide 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%

5-bromo-2-thiophenesulfonyl chloride (55854-46-1) + tert-butylamine (75-64-9) → 5-bromothiophene-2-sulphonic acid tert-butylamide (286932-39-6)

Guidance literature:

In dichloromethane; at 4 - 20 ℃; Inert atmosphere;

DOI:10.1021/op9000687

Reference yield: 96.0%

5-bromothiophene-2-sulphonic acid tert-butylamide (286932-39-6) → 5-bromo-thiophene-2-sulfonamide (53595-65-6)

Guidance literature:

With boron trichloride; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)01020-7

Reference yield: 70.0%

bis(pinacol)diborane (73183-34-3) + 5-bromothiophene-2-sulphonic acid tert-butylamide (286932-39-6) → N-(tert-butyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamide (951233-59-3)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 100 ℃; for 3h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acsmedchemlett.7b00239

upstream raw materials:

5-bromo-2-thiophenesulfonyl chloride

tert-butylamine

Downstream raw materials:

5-bromo-thiophene-2-sulfonamide

N-(tert-butyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamide

3-(3-((1H-imidazol-1-yl)methyl)phenyl)-N-(tert-butyl)-5-isobutylthiophene-2-sulfonamide

N-(tert-butyl)-5-isobutylthiophene-2-sulphonamide