Cas no 1004017-87-1 (1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one)

1-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one is a brominated pyrazole derivative with a propan-2-one substituent, offering versatile reactivity for synthetic applications. The presence of bromine at the 4-position enhances its utility as an intermediate in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating the construction of complex heterocyclic frameworks. The 3,5-dimethyl groups contribute to steric stabilization, improving selectivity in functionalization reactions. Its ketone moiety provides a handle for further derivatization, making it valuable in pharmaceutical and agrochemical synthesis. The compound's well-defined structure and reactivity profile make it a reliable building block for researchers developing novel bioactive molecules or materials.
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one structure
1004017-87-1 structure
Product Name:1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
CAS No:1004017-87-1
MF:C8H11BrN2O
MW:231.089740991592
MDL:MFCD03885074
CID:1125724
PubChem ID:3400036
Update Time:2025-10-14

1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-one
    • 1-(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone
    • SBB022588
    • 1-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-propan-2-one
    • 1-(4-bromo-3,5-dimethylpyrazolyl)acetone
    • AC1MOTVU
    • CTK3J8910
    • MolPort-000-892-060
    • STK349876
    • 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetone(SALTDATA: FREE)
    • AKOS B022228
    • VITAS-BB TBB009095
    • ART-CHEM-BB B022228
    • CHEMBRDG-BB 5910827
    • 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
    • EN300-229955
    • BBL040112
    • CS-0205913
    • CHEMBL4564772
    • 1004017-87-1
    • AKOS000311485
    • BP-11181
    • SCHEMBL15231004
    • DTXSID00392139
    • MDL： MFCD03885074
    • Inchi： 1S/C8H11BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h4H2,1-3H3
    • InChI Key： DJBKJULCIPAZCS-UHFFFAOYSA-N
    • SMILES： BrC1C(C)=NN(CC(C)=O)C=1C

Computed Properties

  • Exact Mass: 230.00500
  • Monoisotopic Mass: 230.00548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • PSA: 34.89000
  • LogP: 1.85140

1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one Pricemore >>

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