Cas no 1218790-17-0 (2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester)

2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid pinacol ester is a boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions. The pinacol ester group enhances stability, improving handling and storage compared to free boronic acids. The fluorine and methyl substituents on the aromatic ring influence reactivity and selectivity in coupling reactions, while the methoxycarbonyl group provides a versatile handle for further functionalization. This compound is particularly valuable in pharmaceutical and agrochemical synthesis, where precise control over biaryl formation is required. Its crystalline form ensures consistent purity, making it a reliable reagent for high-yield transformations under mild conditions.
2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester structure
1218790-17-0 structure
Product Name:2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester
CAS No:1218790-17-0
MF:C15H20BFO4
MW:294.126308441162
MDL:MFCD13195766
CID:839888
PubChem ID:53217166
Update Time:2025-06-09

2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-FLUORO-5-(METHOXYCARBONYL)-4-METHYLPHENYLBORONIC ACID, PINACOL ESTER
    • Methyl 4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • A-5629
    • Benzoic acid, 4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
    • DRYMURGWBFWGPH-UHFFFAOYSA-N
    • SCHEMBL15556472
    • MFCD13195766
    • 2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid,pinacol ester
    • SY024952
    • DB-109392
    • CS-0174113
    • 2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid pinacol ester
    • AKOS015999546
    • DTXSID80682267
    • BS-21143
    • Methyl4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • 1218790-17-0
    • 2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester
    • MDL： MFCD13195766
    • Inchi： 1S/C15H20BFO4/c1-9-7-12(17)11(8-10(9)13(18)19-6)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3
    • InChI Key： DRYMURGWBFWGPH-UHFFFAOYSA-N
    • SMILES： FC1=CC(C)=C(C(=O)OC)C=C1B1OC(C)(C)C(C)(C)O1

Computed Properties

  • Exact Mass: 294.14400
  • Monoisotopic Mass: 294.1438674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 397
  • 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: 44.8?2

Experimental Properties

  • PSA: 44.76000
  • LogP: 2.21990

2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester 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%

2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester Pricemore >>

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