Cas no 313545-40-3 ([4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid)

[4-(Propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid is a boronic acid derivative featuring an isopropoxy substituent and a trifluoromethyl group on the phenyl ring. This compound is particularly valuable in Suzuki-Miyaura cross-coupling reactions, where its electron-withdrawing trifluoromethyl group enhances reactivity while the isopropoxy moiety contributes to steric and electronic tuning. The boronic acid functional group ensures efficient transmetalation with palladium catalysts, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. Its stability under typical reaction conditions and compatibility with diverse substrates further underscore its utility in constructing complex biaryl structures. The compound is typically handled under inert conditions to preserve its reactivity.
[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid structure
313545-40-3 structure
Product Name:[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid
CAS No:313545-40-3
MF:C10H12BF3O3
MW:248.006693840027
MDL:MFCD04972373
CID:305026
PubChem ID:22021842
Update Time:2025-11-02

[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Isopropoxy-2-(trifluoromethyl)phenyl)boronic acid
    • (4-Isopropoxy-2-(trifluoromethyl)-phenyl)boronic acid
    • 4-Isopropoxy-2-(trifluoromethyl) phenylboronic acid
    • 4-ISOPROPOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
    • 4-Isopropoxy-2-trifluoromethylphenylboronic acid
    • Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]-
    • [4-propan-2-yloxy-2-(trifluoromethyl)phenyl]boronic acid
    • [4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid
    • AMY29174
    • D71344
    • AB20942
    • AKOS015838543
    • MFCD04972373
    • CS-0174830
    • 2-trifluoromethyl-4-isopropoxyphenyl boronic acid
    • {4-[(Propan-2-yl)oxy]-2-(trifluoromethyl)phenyl}boronic acid
    • 4-Isopropoxy-2-(trifluoromethyl)phenylboronic acid
    • SCHEMBL3140749
    • 313545-40-3
    • BS-27968
    • FT-0644402
    • DTXSID70621625
    • 4-Isopropoxy-4-(Trifluoromethyl)PhenylboronicAcid
    • DB-016070
    • [4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid
    • MDL： MFCD04972373
    • Inchi： 1S/C10H12BF3O3/c1-6(2)17-7-3-4-9(11(15)16)8(5-7)10(12,13)14/h3-6,15-16H,1-2H3
    • InChI Key： MQWMPOPSYRZCAI-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C=CC=1B(O)O)OC(C)C)(F)F

Computed Properties

  • Exact Mass: 248.08300
  • Monoisotopic Mass: 248.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 245
  • 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: 49.7A^2

Experimental Properties

  • Density: 1.27
  • Boiling Point: 333.6 °C at 760 mmHg
  • Flash Point: 155.5 °C
  • Refractive Index: 1.465
  • PSA: 49.69000
  • LogP: 1.17240

[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic 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-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid Pricemore >>

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