Cas no 1072951-79-1 (4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid)

4-(4'-(2-Pentyloxy)phenyl)phenylboronic acid is a boronic acid derivative featuring a pentyloxy-substituted biphenyl core. This compound is particularly valuable in Suzuki-Miyaura cross-coupling reactions due to its stable boronic acid functionality, which facilitates efficient carbon-carbon bond formation with aryl halides. The pentyloxy side chain enhances solubility in organic solvents, improving reaction compatibility. Its well-defined structure and high purity make it suitable for pharmaceutical intermediates and advanced material synthesis. The compound’s stability under typical coupling conditions ensures reliable performance in complex synthetic pathways. Researchers value it for its consistent reactivity and utility in constructing conjugated systems for optoelectronic and medicinal chemistry applications.
4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid structure
1072951-79-1 structure
Product Name:4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid
CAS No:1072951-79-1
MF:C17H21BO3
MW:284.157845258713
MDL:MFCD09038419
CID:827969
PubChem ID:24884820
Update Time:2025-11-01

4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (4'-(Pentan-2-yloxy)-[1,1'-biphenyl]-4-yl)boronic acid
    • 4-(4'-(2-PENTYLOXY)PHENYL)PHENYLBORONIC ACID
    • 4-(4-(2-Pentyloxy)phenyl)phenylboronic acid
    • [4-(4-pentan-2-yloxyphenyl)phenyl]boronic acid
    • 4-[4'-(2-Pentyloxy)-phenyl]-phenylborons?ure
    • 4-[4′-(2-Pentyloxy)-phenyl]-phenylborons?ure
    • J-001775
    • XSB95179
    • DB-357434
    • BS-23157
    • MFCD09038419
    • [4'-(pentan-2-yloxy)-[1,1'-biphenyl]-4-yl]boronic acid
    • SCHEMBL2558214
    • 4-(4''-(2-Pentyloxy)phenyl)phenylboronic Acid
    • 4-(4 inverted exclamation marka-(2-Pentyloxy)phenyl)phenylboronic acid(contains varying amounts of Anhydride)
    • AKOS015893760
    • CS-0174590
    • G78876
    • (4'-(Pentan-2-yloxy)-[1,1'-biphenyl]-4-yl)boronicacid
    • 1072951-79-1
    • DTXSID90584804
    • {4'-[(Pentan-2-yl)oxy][1,1'-biphenyl]-4-yl}boronic acid
    • 4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid
    • MDL: MFCD09038419
    • Inchi: 1S/C17H21BO3/c1-3-4-13(2)21-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(19)20/h5-13,19-20H,3-4H2,1-2H3
    • InChI Key: GHVDSTWRPUFXCV-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)C1C=CC(B(O)O)=CC=1)C(C)CCC

Computed Properties

  • Exact Mass: 284.15800
  • Monoisotopic Mass: 284.1583747g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 282
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • Density: 1.11±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 128-140?°C
  • Solubility: Insuluble (8.8E-3 g/L) (25 oC),
  • PSA: 49.69000
  • LogP: 2.60080

4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi

4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid Pricemore >>

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Additional information on 4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid

4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid: A Versatile Compound in Modern Pharmaceutical Research

4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid (CAS No. 1072951-79-1) has emerged as a critical component in the development of advanced pharmaceutical formulations due to its unique molecular structure and functional properties. This compound belongs to the class of boronic acid derivatives, which are widely utilized in drug discovery and biological conjugation applications. The presence of a boronic acid group in its chemical structure allows for specific interactions with diol-containing molecules, making it a valuable tool in the design of targeted drug delivery systems and prodrug strategies.

Recent studies have highlighted the potential of 4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid in enhancing the bioavailability of therapeutic agents. A 2023 publication in Advanced Drug Delivery Reviews demonstrated that the 2-pentyloxy group contributes to the solubility and stability of the compound in aqueous environments, which is crucial for oral drug formulations. The phenylboronic acid moiety further enables the compound to act as a cross-linking agent in the development of polymer-based drug carriers, offering improved controlled release profiles.

The 4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid structure is characterized by the presence of two aromatic rings connected through a boronic acid linkage. The 2-pentyloxy substituent on the para-position of the phenyl ring introduces hydrophobicity, while the boronic acid group provides functional reactivity. This dual functionality makes the compound particularly suitable for applications in biomaterials science and nanomedicine, where precise molecular interactions are essential.

Research published in Journal of Medicinal Chemistry in 2024 has explored the role of 4-(4'-(2-Pentyloxy)phenyl)phenylboronic Acid in antioxidant drug design. The compound's ability to form stable complexes with hydroxyl radicals has been linked to its potential as a radical scavenger in therapeutic contexts. This property is particularly relevant for the development of anti-inflammatory agents and <

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