Cas no 288101-48-4 (2,4-Difluorophenylboronic acid, pinacol ester)

2,4-Difluorophenylboronic acid, pinacol ester structure
288101-48-4 structure
Product Name:2,4-Difluorophenylboronic acid, pinacol ester
CAS No:288101-48-4
MF:C12H15BF2O2
MW:240.054110765457
MDL:MFCD05663880
CID:248816
PubChem ID:16217652
Update Time:2025-04-19

2,4-Difluorophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-(2,4-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 1,3,2-Dioxaborolane,2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-
    • 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,5-DIFLUOROBENZENE
    • 2,4-Difluorophenylboronic acid pinacol ester
    • 4-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-1,3-difluorobenzene
    • BM142
    • CS-0153877
    • MFCD05663880
    • EN300-118400
    • C12H15BF2O2
    • AS-49900
    • 2,4-DIFLUOROPHENYLBORONIC ACID,PINACOL ESTER
    • (2,4-DIFLUOROPHENYL)BORONIC ACID PINACOL ESTER
    • 288101-48-4
    • SCHEMBL897058
    • AKOS015960179
    • A876613
    • 2,4-DIFLUOROPHENYLBORONIC ACID, PINACOL ESTER
    • HVKAOYLQBVBZDU-UHFFFAOYSA-N
    • SY023640
    • AB22010
    • 1,3,2-DIOXABOROLANE, 2-(2,4-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-
    • 2,4-Difluorophenylboronic acid pinacol ester, 97%
    • O10034
    • J-017275
    • DTXSID60584472
    • 2,4-Difluorophenylboronic acid, pinacol ester
    • MDL: MFCD05663880
    • Inchi: 1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,1-4H3
    • InChI Key: HVKAOYLQBVBZDU-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1B1OC(C)(C)C(C)(C)O1)F

Computed Properties

  • Exact Mass: 240.11300
  • Monoisotopic Mass: 240.113
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 280
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 18.5A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.11
  • Melting Point: 41-44?°C (lit.)
  • Boiling Point: 276.5℃ at 760 mmHg
  • Flash Point: Fahrenheit: 226.4 ° f < br / > Celsius: 108 ° C < br / >
  • Refractive Index: 1.468
  • PSA: 18.46000
  • LogP: 2.26400
  • Solubility: Not determined

2,4-Difluorophenylboronic acid, pinacol ester Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36/37
  • Hazardous Material Identification: Xi
  • Storage Condition:2-8°C
  • Risk Phrases:R36/37/38

2,4-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%

2,4-Difluorophenylboronic acid, pinacol ester Pricemore >>

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2,4-Difluorophenylboronic acid, pinacol ester Production Method

Production Method 1

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 2

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 3

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 4

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 5

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 6

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 7

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 8

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

2,4-Difluorophenylboronic acid, pinacol ester Raw materials

2,4-Difluorophenylboronic acid, pinacol ester Preparation Products

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