Cas no 863868-37-5 (2,6-Difluorophenylboronic acid, pinacol ester)

2,6-Difluorophenylboronic acid, pinacol ester structure
863868-37-5 structure
Product Name:2,6-Difluorophenylboronic acid, pinacol ester
CAS No:863868-37-5
MF:C12H15BF2O2
MW:240.054110765457
MDL:MFCD09801043
CID:718516
PubChem ID:44717719
Update Time:2024-10-26

2,6-Difluorophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 1,3,2-Dioxaborolane,2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-
    • 2,6-DIFLUOROBENZENEBORONIC ACID, PINACOL ESTER
    • 2,6-Difluorophenylboronic Acid Pinacol Ester
    • 2,6-DifluoroBenzeneBoronicacid,pinacolester
    • 2,6-Difluorophenylboronic acid, pinacol ester
    • 1,3,2-DIOXABOROLANE, 2-(2,6-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-
    • ADHKLRLGCVHQCG-UHFFFAOYSA-N
    • SBB099198
    • MB07695
    • BC001573
    • 2,6-DifluorophenylboronicAcidPinacolEste
    • 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (ACI)
    • GS-5861
    • DTXSID20660307
    • 2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-di oxaborolane
    • 2,6-Difluorophenylboronic acid,pinacol ester
    • CS-W000986
    • 2 pound not6-Difluorophenylboronic Acid Pinacol Ester
    • 863868-37-5
    • MFCD09801043
    • AKOS016001417
    • SCHEMBL15026275
    • SY023539
    • (2,6-DIFLUOROPHENYL)BORONIC ACID PINACOL ESTER
    • EN300-316806
    • MDL： MFCD09801043
    • Inchi： 1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
    • InChI Key： ADHKLRLGCVHQCG-UHFFFAOYSA-N
    • SMILES： FC1C(B2OC(C)(C)C(C)(C)O2)=C(F)C=CC=1

Computed Properties

  • Exact Mass: 240.11300
  • Monoisotopic Mass: 240.113
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 270
  • 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: 18.5

Experimental Properties

  • Density: 1.11
  • Boiling Point: 281.7±30.0°C at 760 mmHg
  • Flash Point: 124.2°C
  • Refractive Index: 1.468
  • PSA: 18.46000
  • LogP: 2.26400

2,6-Difluorophenylboronic acid, pinacol ester Security Information

2,6-Difluorophenylboronic 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%

2,6-Difluorophenylboronic acid, pinacol ester Pricemore >>

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2,6-Difluorophenylboronic acid, pinacol ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Catalysts: (SP-4-3)-Chloro[[2-(dicyclohexylphosphino-κP)phenyl][2-[(dimethylamino-κN)methyl… Solvents: Mesitylene ,  Hexane ;  rt; 4 h, 150 °C
Reference
Fluorine-controlled C-H borylation of arenes catalyzed by a PSiN-pincer platinum complex
Takaya, Jun; et al, Chemical Communications (Cambridge, 2015, 51(100), 17662-17665

Production Method 2

Reaction Conditions
1.1 Catalysts: [1,3-Bis(η2-ethenyl)-1,1,3,3-tetramethyldisiloxane](1,3-dicyclohexyl-1,3-dihydro… Solvents: 1,3-Difluorobenzene ;  20 h, 80 °C
Reference
C-H Functionalization at Sterically Congested Positions by the Platinum-Catalyzed Borylation of Arenes
Furukawa, Takayuki; et al, Journal of the American Chemical Society, 2015, 137(38), 12211-12214

Production Method 3

Reaction Conditions
1.1 Catalysts: Iridium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][1,3-propanediylbis(3-methyl-1H-imi… Solvents: 1,3-Difluorobenzene ;  30 min, 180 °C
Reference
Iridium complexes of N-heterocyclic carbenes in C-H borylation using energy efficient microwave technology: influence of structure, ligand donor strength and counter ion on catalytic activity
Rentzsch, Christoph F.; et al, Green Chemistry, 2009, 11(10), 1610-1617

Production Method 4

Reaction Conditions
1.1 Catalysts: 2489284-98-0 Solvents: Cyclohexene ;  18 h, 110 °C
Reference
Direct C-H Borylation of Arenes Catalyzed by Saturated Hydride-Boryl-Iridium-POP Complexes: Kinetic Analysis of the Elemental Steps
Esteruelas, Miguel A. ; et al, Chemistry - A European Journal, 2020, 26(55), 12632-12644

Production Method 5

Reaction Conditions
1.1 Catalysts: Bis(dibenzylideneacetone)palladium ,  2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl Solvents: Toluene ;  18 h, 105 °C
Reference
Base-Free Pd-Catalyzed C-Cl Borylation of Fluorinated Aryl Chlorides
Budiman, Yudha P. ; et al, Chemistry - A European Journal, 2021, 27(11), 3869-3874

Production Method 6

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Tetrahydrofuran ;  10 min, rt → -78 °C
1.2 Reagents: Butyllithium ;  1.5 h, -78 °C
1.3 30 min, -78 °C; -78 °C → rt; 24 h, rt
1.4 Reagents: Ammonium chloride Solvents: Water
Reference
Transition Metal-Free Synthesis of Pinacol Arylboronate: Regioselective Boronation of 1,3-Disubstituted Benzenes
Wang, Yan; et al, Australian Journal of Chemistry, 2014, 67(4), 675-678

Production Method 7

Reaction Conditions
1.1 Reagents: Butyllithium Catalysts: (SP-4-3)-[[2-[Bis(1-methylethyl)phosphino-κP]phenyl][2-[(dimethylamino-κN)methyl… Solvents: Mesitylene ,  Hexane ;  rt; 4 h, 150 °C
Reference
Fluorine-controlled C-H borylation of arenes catalyzed by a PSiN-pincer platinum complex
Takaya, Jun; et al, Chemical Communications (Cambridge, 2015, 51(100), 17662-17665

Production Method 8

Reaction Conditions
1.1 Solvents: Cyclohexane ;  4 d, 50 °C
2.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 9

Reaction Conditions
1.1 Solvents: Cyclohexane ;  1 d, rt
2.1 Solvents: Cyclohexane ;  1 d, rt
3.1 Catalysts: (SP-4-2)-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)tris(triethylphosphine)rho… Solvents: Cyclohexane ;  rt → 50 °C; 24 h, 50 °C
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 10

Reaction Conditions
1.1 Solvents: Cyclohexane ;  3 h, rt
2.1 Solvents: Cyclohexane ;  4 d, 50 °C
3.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 11

Reaction Conditions
1.1 Solvents: Cyclohexane ;  1 d, rt
2.1 Solvents: Cyclohexane ;  4 d, 50 °C
3.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 12

Reaction Conditions
1.1 Solvents: Cyclohexane ;  10 d, rt
2.1 Solvents: Cyclohexane ;  1 d, rt
3.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 13

Reaction Conditions
1.1 Catalysts: Sodium triethylborohydride ,  2094503-97-4 Solvents: Tetrahydrofuran ;  2 min, rt
1.2 Reagents: Cyclohexene ;  24 h, 100 °C
Reference
Cobalt-Catalyzed Regioselective Borylation of Arenes: N-Heterocyclic Silylene as an Electron Donor in the Metal-Mediated Activation of C-H Bonds
Ren, Hailong; et al, Chemistry - A European Journal, 2017, 23(24), 5663-5667

Production Method 14

Reaction Conditions
1.1 Reagents: Cyclohexene Catalysts: (SP-4-1)-[1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl-κO)bis[1,1-bis(1-methylethyl)p… ;  24 h, 110 °C
Reference
POP-Rhodium-promoted C-H and B-H bond activation and C-B bond formation
Esteruelas, Miguel A.; et al, Organometallics, 2015, 34(10), 1911-1924

Production Method 15

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Tricyclohexylphosphine ,  Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ;  rt; 12 h, 80 °C
Reference
Sterically Directed Functionalization of Aromatic C-H Bonds: Selective Borylation Ortho to Cyano Groups in Arenes and Heterocycles
Chotana, Ghayoor A.; et al, Journal of the American Chemical Society, 2005, 127(30), 10539-10544

Production Method 16

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Tetrahydrofuran ;  10 min, rt → -78 °C
1.2 Reagents: Butyllithium ;  1.5 h, -78 °C
1.3 30 min, -78 °C; -78 °C → rt; 12 h, rt
1.4 Reagents: Ammonium chloride Solvents: Water
Reference
Transition Metal-Free Synthesis of Pinacol Arylboronate: Regioselective Boronation of 1,3-Disubstituted Benzenes
Wang, Yan; et al, Australian Journal of Chemistry, 2014, 67(4), 675-678

Production Method 17

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Tetrahydrofuran ;  10 min, rt → -78 °C
1.2 Reagents: Butyllithium ;  1.5 h, -78 °C
1.3 30 min, -78 °C; -78 °C → rt; 12 h, rt
1.4 Reagents: Ammonium chloride Solvents: Water
Reference
Transition Metal-Free Synthesis of Pinacol Arylboronate: Regioselective Boronation of 1,3-Disubstituted Benzenes
Wang, Yan; et al, Australian Journal of Chemistry, 2014, 67(4), 675-678

Production Method 18

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Tetrahydrofuran ;  10 min, rt → -78 °C
1.2 Reagents: Butyllithium ;  1.5 h, -78 °C
1.3 30 min, -78 °C; -78 °C → rt; 24 h, rt
1.4 Reagents: Ammonium chloride Solvents: Water
Reference
Transition Metal-Free Synthesis of Pinacol Arylboronate: Regioselective Boronation of 1,3-Disubstituted Benzenes
Wang, Yan; et al, Australian Journal of Chemistry, 2014, 67(4), 675-678

Production Method 19

Reaction Conditions
1.1 Catalysts: (SP-4-2)-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)tris(triethylphosphine)rho… Solvents: Cyclohexane ;  rt → 50 °C; 24 h, 50 °C
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 20

Reaction Conditions
1.1 Catalysts: [1,3-Bis(η2-ethenyl)-1,1,3,3-tetramethyldisiloxane](1,3-dicyclohexyl-1,3-dihydro… ;  20 h, 60 °C
Reference
C-H borylation by platinum catalysis
Furukawa, Takayuki; et al, Bulletin of the Chemical Society of Japan, 2017, 90(3), 332-342

Production Method 21

Reaction Conditions
1.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 22

Reaction Conditions
1.1 Solvents: Cyclohexane ;  1 d, rt
2.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 23

Reaction Conditions
1.1 Solvents: Cyclohexane ;  1 d, rt
2.1 Catalysts: (SP-4-2)-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)tris(triethylphosphine)rho… Solvents: Cyclohexane ;  rt → 50 °C; 24 h, 50 °C
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 24

Reaction Conditions
1.1 Solvents: Cyclohexane ;  1 d, rt
2.1 Solvents: Cyclohexane ;  4 d, 50 °C
3.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 25

Reaction Conditions
1.1 Solvents: Cyclohexane ;  3 h, rt
2.1 Solvents: Cyclohexane ;  1 d, rt
3.1 Catalysts: (SP-4-2)-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)tris(triethylphosphine)rho… Solvents: Cyclohexane ;  rt → 50 °C; 24 h, 50 °C
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

Production Method 26

Reaction Conditions
1.1 Solvents: Cyclohexane ;  5 d, rt
2.1 Solvents: Cyclohexane ;  1 d, rt
3.1 Solvents: Hexamethyldisilane ;  5 d, rt
Reference
C-H and C-F Bond Activations at a Rhodium(I) Boryl Complex: Reaction Steps for the Catalytic Borylation of Fluorinated Aromatics
Kallaene, Sabrina I.; et al, Organometallics, 2015, 34(7), 1156-1169

2,6-Difluorophenylboronic acid, pinacol ester Raw materials

2,6-Difluorophenylboronic acid, pinacol ester Preparation Products

2,6-Difluorophenylboronic acid, pinacol ester Related Literature

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