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Home > Encyclopedia > 3-BroMo-1-(diMethylsulfaMoyl)pyrazole

3-BroMo-1-(diMethylsulfaMoyl)pyrazole

3-BroMo-1-(diMethylsulfaMoyl)pyrazole structure

3-BroMo-1-(diMethylsulfaMoyl)pyrazole 

structure
  • CAS No:

    500011-84-7

  • Formula:

    C5H8BrN3O2S

  • Chemical Name:

    3-BroMo-1-(diMethylsulfaMoyl)pyrazole

  • Synonyms:

    3-Bromo-1-(dimethylsulfamoyl)pyrazole;500011-84-7;3-bromo-N,N-dimethyl-1H-pyrazole-1-sulfonamide;1H-Pyrazole-1-sulfonamide, 3-bromo-N,N-dimethyl-;3-BROMO-N,N-DIMETHYLPYRAZOLE-1-SULFONAMIDE;SCHEMBL535681;CTK8E1782;DTXSID70610493;KS-00000DR1;5813AJ

3-BroMo-1-(diMethylsulfaMoyl)pyrazole Basic Attributes

254.10492

252.95200

2935009090

Characteristics

63.6

0.8

1.79±0.1 g/cm3(Predicted)

345.5±34.0°C at 760 mmHg

3-BroMo-1-(diMethylsulfaMoyl)pyrazole Use and Manufacturing

To a solution of N, N-dimethyl-1H-pyrazole-1-sulfonamide obtained in Step A (6.74 g) in tetrahydrofuran (75 mL) was added dropwise n-butyllithium hexane solution (1.3 M, 31.1 mL) over 15 min at -78°C. The reaction mixture was stirred at -78°C for 15 min, and a solution of 1, 2-dibromo-1, 1, 2, 2-tetrachloroethane (13.8 g) in tetrahydrofuran (25 mL) was added dropwise thereto over 10 min. The reaction mixture was stirred at -78°C for 15 min, and then at room temperature for 1 hr. The reaction mixture was poured into water, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, and dried over anhydrous sodium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate/hexane) to give the title compound (8.03 g). Step A: Preparation of 3-Bromo-N, N-dimethyl-1H-pyrazole-1-sulfonamide

Computed Properties

Molecular Weight:254.11
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:252.95206
Monoisotopic Mass:252.95206
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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