Cas no 871940-31-7 ((3-Cyano-2,4-difluorophenyl)boronic acid)

(3-Cyano-2,4-difluorophenyl)boronic acid is a versatile organic compound with significant synthetic utility. Its distinct cyano and fluorine substituents enhance its reactivity, making it an effective building block in organic synthesis. The compound is particularly useful in the construction of biologically relevant molecules, such as pharmaceuticals and agrochemicals. Its high purity and stability ensure reliable performance in various chemical transformations.
(3-Cyano-2,4-difluorophenyl)boronic acid structure
871940-31-7 structure
Product Name:(3-Cyano-2,4-difluorophenyl)boronic acid
CAS No:871940-31-7
MF:C7H4BF2NO2
MW:182.919968605042
MDL:MFCD12026699
CID:1038114
PubChem ID:354334270
Update Time:2025-07-29

(3-Cyano-2,4-difluorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Cyano-2,4-difluorophenyl)boronic acid
    • 3-Cyano-2,4-difluorophenylboronic Acid (contains varying amounts of Anhydride)
    • 2,4-Difluoro-3-cyanophenylboronic acid
    • 3-cyano-2,4-difluorophenylboronic acid
    • 3-Cyano-2,4-difluorobenzeneboronic Acid (contains varying amounts of Anhydride)
    • Boronic acid, (3-cyano-2,4-difluorophenyl)-
    • Boronic acid, B-(3-cyano-2,4-difluorophenyl)-
    • (3-Cyano-2,4-difluorophenyl)boronicacid
    • KM2491
    • FCH898162
    • VB10207
    • LS10931
    • 3-Cyano-2,4-difluorobenzeneboronic Acid
    • PC412104
    • BC001248
    • B-(3-Cyano-2,4-difluorophenyl)boronic acid (ACI)
    • Boronic acid, (3-cyano-2,4-difluorophenyl)- (9CI)
    • (2,4-Difluoro-3-cyanophenyl)boronic acid
    • MDL： MFCD12026699
    • Inchi： 1S/C7H4BF2NO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H
    • InChI Key： VQEKFJVJHSVFTM-UHFFFAOYSA-N
    • SMILES： N#CC1C(F)=C(B(O)O)C=CC=1F

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 230
  • Topological Polar Surface Area: 64.2

Experimental Properties

  • Density: 1.44
  • Melting Point: 134°C(lit.)

(3-Cyano-2,4-difluorophenyl)boronic acid Security Information

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(3-Cyano-2,4-difluorophenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Diethyl ether ,  Ethylbenzene ,  Tetrahydrofuran ,  Heptane ;  40 min, -78 °C; 1 h, -78 °C
1.2 Reagents: Triisopropyl borate ;  -78 °C; 1 h, -78 °C; -78 °C → rt; 1 h, rt
1.3 Reagents: Water ;  15 min
Reference
Nucleophilic substitution of fluorine atoms in 2,6-Difluoro-3-(pyridin-2-yl)benzonitrile leading to soluble blue-emitting cyclometalated Ir(III) complexes
Kozhevnikov, Valery N.; et al, Journal of Organic Chemistry, 2011, 76(12), 5143-5148

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  -78 °C; 1 h, -78 °C
1.2 Reagents: Triisopropyl borate ;  -78 °C; 1 h, -78 °C; overnight, -78 °C → rt
Reference
Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands
Benjamin, Helen; et al, Dalton Transactions, 2020, 49(7), 2190-2208

(3-Cyano-2,4-difluorophenyl)boronic acid Raw materials

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