Cas no 868662-36-6 ([6-(trifluoromethyl)pyridin-3-yl]boronic acid)

[6-(Trifluoromethyl)pyridin-3-yl]boronic acid is a versatile boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions, a key method for forming carbon-carbon bonds in organic synthesis. The trifluoromethyl group enhances the compound's electron-withdrawing properties, making it valuable in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Its pyridine scaffold offers additional coordination sites, facilitating diverse functionalization. The boronic acid moiety ensures high reactivity with aryl halides under mild conditions, enabling efficient synthesis of complex heterocyclic structures. This compound is particularly useful in medicinal chemistry for introducing trifluoromethyl-substituted pyridine motifs, which improve metabolic stability and bioavailability in drug candidates. Proper handling under inert conditions is recommended due to its sensitivity to moisture.
[6-(trifluoromethyl)pyridin-3-yl]boronic acid structure
868662-36-6 structure
Product Name:[6-(trifluoromethyl)pyridin-3-yl]boronic acid
CAS No:868662-36-6
MF:C6H5BF3NO2
MW:190.915611982346
MDL:MFCD07375381
CID:721244
PubChem ID:25134278
Update Time:2025-06-07

[6-(trifluoromethyl)pyridin-3-yl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Trifluoromethyl)pyridin-5-ylboronic acid
    • 2-(Trifluoromethyl)pyridine-5-boronic Acid (contains varying amounts of Anhydride)
    • (6-(Trifluoromethyl)pyridin-3-yl)boronic acid
    • [6-(trifluoromethyl)pyridin-3-yl]boronic acid
    • 2-(TRIFLUOROMETHYL)PYRIDINE-5-BORONIC ACID
    • 2-(Trifluoromethyl)pyridine-5-boronic acid hydrochloride
    • 2-TRIFLUOROMETHYL-5-PYRIDINEBORIC ACID
    • 2-Trifluoromethylpyridine-5-boronic acid
    • 6-(Trifluoromethyl)pyridin-3-ylboronic acid
    • Boronic acid,B-[6-(trifluoromethyl)-3-pyridinyl]-
    • 6-(Trifluoromethyl)-3-pyridylboronic Acid (contains varying amounts of Anhydride)
    • Boronicacid, [6-(trifluoromethyl)-3-pyridinyl]- (9CI)
    • (2-Trifluoromethylpyridin-5-yl)boronic acid
    • [6-Trifluoromethylpyridin-3-yl]boronicacid
    • 2-Trifluoromethyl-5-Pyridineboronic Acid
    • 6-(Trifluoromethyl)pyridine-3-boronic acid
    • 6-(Trifluoromethyl)-3-pyridylboronic Acid
    • [6-(trifluoromethyl)-3-pyridyl]boronic acid
    • [6-(trifluorome
    • B-[6-(Trifluoromethyl)-3-pyridinyl]boronic acid (ACI)
    • Boronic acid, [6-(trifluoromethyl)-3-pyridinyl]- (9CI)
    • (6-Trifluoromethyl-3-pyridyl)boronic acid
    • [2-(Trifluoromethyl)-5-pyridyl]boronic acid
    • [6-Trifluoromethylpyridin-3-yl]boronic acid
    • EN300-316430
    • 2-(trifluoromethyl)-pyridine-5-boronic acid
    • 6-(trifluoromethyl)pyridin-3-yl boronic acid
    • RB2001
    • AKOS005063811
    • T3188
    • 2-(Trifluoromethyl)-5-Pyridineboronic Acid
    • SCHEMBL249039
    • AC-24792
    • FT-0647900
    • MFCD07375381
    • [6-(trifluoromethyl)-3-pyridyl)boronic acid
    • [2-trifluoromethylpyridin-5-yl]boronic acid
    • 6-(trifluoromethyl)-pyridin-3-ylboronic acid
    • A841858
    • 2-(trifluormethyl)pyridin-5-ylboronic acid
    • AB41833
    • 2-(Trifluoromethyl)pyridine-5-boronic acid, AldrichCPR
    • 2-trifluoromethyl-5-pyridyl boronic acid
    • 2-Trifluoromethyl-5-pyridineboricacid
    • 6-trifluoromethyl-3-pyridyl boronic acid
    • AM20061559
    • 868662-36-6
    • A19563
    • (6-(Trifluoromethyl)pyridin-3-yl)boronicacid
    • 2-trifluoromethyl-pyrid-5-yl boronic acid
    • [6-(trifluoromethyl)-3-pyridinyl]boronic acid
    • 6-(trifluoromethyl)pyridine-3-ylboronic acid
    • DTXSID80648808
    • SY008547
    • CS-W004793
    • PS-9497
    • 6-Trifluoromethylpyridine-3-boronic acid
    • J-518134
    • Z1201624105
    • DB-010488
    • BBL100239
    • STL553808
    • MDL： MFCD07375381
    • Inchi： 1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
    • InChI Key： BNTIPMNMTIAWIW-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC(B(O)O)=CN=1)(F)F

Computed Properties

  • Exact Mass: 191.03700
  • Monoisotopic Mass: 191.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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: 53.4

Experimental Properties

  • Color/Form: No data available
  • Density: 1.646
  • Melting Point: No data available
  • Boiling Point: 274.9°C at 760 mmHg
  • Flash Point: 180.3℃
  • Refractive Index: 1.455
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 53.35000
  • LogP: -0.21980

[6-(trifluoromethyl)pyridin-3-yl]boronic acid Security Information

[6-(trifluoromethyl)pyridin-3-yl]boronic acid Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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[6-(trifluoromethyl)pyridin-3-yl]boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium ,  Triisopropyl borate Solvents: Tetrahydrofuran ,  Hexane ;  3 h, -78 °C; -78 °C → -10 °C
1.2 Reagents: Water ;  -10 °C
1.3 Reagents: Sodium hydroxide ;  pH 10, rt
1.4 Reagents: Acetic acid ;  pH 5, rt
Reference
Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki-Miyaura cross-coupling reactions
Clapham, Kate M.; et al, Organic & Biomolecular Chemistry, 2009, 7(10), 2155-2161

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Diethyl ether ;  -78 °C; 1.5 h, -78 °C
1.2 Reagents: Triisopropyl borate ;  -78 °C; -78 °C → rt; 1.5 h, rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  0 °C
1.4 Reagents: Hydrochloric acid Solvents: Water ;  pH 7
Reference
Synthesis, crystal structure and DFT study of a novel planar bipyridyl compound 6,6'-bis(trifluoromethyl)-3,3'-bipyridine
Liu, Ye; et al, Journal of Molecular Structure, 2020, 1208,

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