Cas no 847818-75-1 (1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole)

1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a boronic ester derivative of pyrazole, commonly employed as an intermediate in Suzuki-Miyaura cross-coupling reactions. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolane group enhances stability and handling under ambient conditions while maintaining reactivity in palladium-catalyzed transformations. The 2-methylpropyl substituent improves solubility in organic solvents, facilitating its use in synthetic applications. This compound is particularly valuable in pharmaceutical and agrochemical research for constructing complex heterocyclic frameworks. Its well-defined structure and reliable reactivity profile make it a preferred choice for precision synthesis of functionalized pyrazole derivatives.
1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole structure
847818-75-1 structure
Product Name:1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No:847818-75-1
MF:C13H23BN2O2
MW:250.144923448563
MDL:MFCD12405505
CID:1004437
PubChem ID:11414017
Update Time:2025-05-27

1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
    • 1H-Pyrazole, 1-(2-Methylpropyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
    • 1-Isobutyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
    • AB65542
    • 1-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
    • AKOS000265694
    • 1-ISOBUTYL-1H-PYRAZOLE-5-BORONIC ACID, PINACOL ESTER
    • 1-(2-methylpropyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
    • F11570
    • MFCD12405505
    • 1-ISOBUTYLPYRAZOLE-5-BORONIC ACID PINACOL ESTER
    • SCHEMBL15375984
    • BS-24280
    • DTXSID00465155
    • CS-0055097
    • FT-0767295
    • 847818-75-1
    • Z2049731367
    • (1-ISOBUTYL-1H-PYRAZOL-5-YL)BORONIC ACID PINACOL ESTER
    • EN300-212720
    • 1-Isobutyl-1H-pyrazole-5-boronic acid pinacol ester
    • DA-02415
    • DTXCID60415974
    • MDL： MFCD12405505
    • Inchi： 1S/C13H23BN2O2/c1-10(2)9-16-11(7-8-15-16)14-17-12(3,4)13(5,6)18-14/h7-8,10H,9H2,1-6H3
    • InChI Key： UCTGHVVGYUCXFN-UHFFFAOYSA-N
    • SMILES： O1B(C2=CC=NN2CC(C)C)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 250.18500
  • Monoisotopic Mass: 250.1852581g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 291
  • 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
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • Density: 1.02
  • Boiling Point: 347.7°C at 760 mmHg
  • Flash Point: 164.1°C
  • Refractive Index: 1.501
  • PSA: 36.28000
  • LogP: 1.83830

1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
230779-1g
1-(2-Methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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