Cas no 163006-96-0 (3-Fluoro-4’-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid)

3-Fluoro-4’-(trans-4-pentyl cyclohexyl)phenyl]-boronic acid is a specialized boronic acid derivative featuring a trans-4-pentyl cyclohexylphenyl core with a fluorine substituent. This compound is valuable in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its stable boronic acid functionality and sterically optimized structure. The trans-cyclohexyl configuration enhances rigidity, while the fluorine atom can influence electronic properties, making it useful in the development of liquid crystals, pharmaceuticals, and advanced materials. Its high purity and well-defined geometry ensure reliable performance in precision applications. The compound is typically handled under inert conditions to preserve reactivity.
3-Fluoro-4’-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid structure
163006-96-0 structure
Product Name:3-Fluoro-4’-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid
CAS No:163006-96-0
MF:C17H26BFO2
MW:292.196548938751
CID:1066458
Update Time:2025-05-22

3-Fluoro-4’-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-4’-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid
    • [2-fluoro-4-(trans-4-pentylcyclohexyl)phenyl]Boronic acid
    • 2-FLUORO-4-(TRANS-4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACID
    • VCEGVLTZIQBLBQ-AYWPPYMVSA-N
    • (4-(trans-3-Fluoro-4-pentylcyclohexyl)phenyl)boronic acid
    • 3-Fluoro-4'-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid
    • (2-Fluoro-4-(trans-4-pentylcyclohexyl)phenyl)boronic acid
    • [2-Fluoro-4'-(Trans-4-alkylcyclohexyl)phenyl]-Boronic acid
    • Boronic acid, [2-fluoro-4-(trans-4-pentylcyclohexyl)phenyl]-
    • (4-((3S,4S)-3-fluoro-4-pentylcyclohexyl)phenyl)boronic acid
    • Inchi: 1S/C17H26BFO2/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(18(20)21)17(19)12-15/h10-14,20-21H,2-9H2,1H3/t13-,14-
    • InChI Key: BETRAPJTYYQPQA-HDJSIYSDSA-N
    • SMILES: C1(B(O)O)=CC=C([C@@H]2CC[C@@H](CCCCC)CC2)C=C1F

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6

Experimental Properties

  • Density: 1.06±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 415.7±55.0 °C(Predicted)
  • Solubility: Insuluble (2.5E-3 g/L) (25 oC),
  • pka: 8.50±0.58(Predicted)

3-Fluoro-4’-(Trans-4-pentyl cyclohexyl)phenyl]-boronic acid Pricemore >>

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