Cas no 945837-57-0 (4-Cyclopentylphenylboronic acid)

4-Cyclopentylphenylboronic acid is a boronic acid derivative featuring a cyclopentyl-substituted phenyl ring, making it a valuable intermediate in organic synthesis and cross-coupling reactions. Its structure enhances steric and electronic properties, improving selectivity in Suzuki-Miyaura couplings. The cyclopentyl group contributes to increased lipophilicity, which can be advantageous in medicinal chemistry applications. This compound is typically used in the preparation of pharmaceuticals, agrochemicals, and advanced materials. It exhibits good stability under standard conditions and is compatible with a range of reaction conditions. Proper handling under inert atmospheres is recommended to maintain its integrity.
4-Cyclopentylphenylboronic acid structure
945837-57-0 structure
Product Name:4-Cyclopentylphenylboronic acid
CAS No:945837-57-0
MF:C11H15BO2
MW:190.046603441238
MDL:MFCD04039014
CID:839801
PubChem ID:4197998
Update Time:2025-06-13

4-Cyclopentylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 4-CYCLOPENTYLPHENYLBORONIC ACID
    • (4-Cyclopentylphenyl)boronic acid
    • 4-CYCLOPENTYLBENZENEBORONIC ACID
    • (4-Cyclopentylphenyl)boronicacid
    • 945837-57-0
    • CS-0175301
    • VMB83757
    • MFCD04039014
    • A859330
    • CXQWADWZIYSSDJ-UHFFFAOYSA-N
    • SCHEMBL3289787
    • AKOS004116289
    • AB17253
    • DTXSID60400724
    • PS-9417
    • D71330
    • EN300-1609756
    • DB-367712
    • 4-Cyclopentylphenylboronic acid
    • MDL: MFCD04039014
    • Inchi: 1S/C11H15BO2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13-14H,1-4H2
    • InChI Key: CXQWADWZIYSSDJ-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)C1CCCC1)O

Computed Properties

  • Exact Mass: 190.117
  • Monoisotopic Mass: 190.117
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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: 40.5A^2

Experimental Properties

  • PSA: 40.46000
  • LogP: 1.02400

4-Cyclopentylphenylboronic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

4-Cyclopentylphenylboronic acid Pricemore >>

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