Cas no 934586-50-2 (2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane structure
934586-50-2 structure
Product Name:2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No:934586-50-2
MF:C14H19BO3
MW:246.109864473343
MDL:MFCD11109314
CID:999791
PubChem ID:43811027
Update Time:2024-10-26

2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • 2-(2,3-Dihydrobenzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrobenzo[b]furan
    • 2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 2,3-Dihydrobenzofuran-7-boronic acid, pinacol ester
    • 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran
    • 7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-benzofuran
    • HCAAUTYLSSDHFV-UHFFFAOYSA-N
    • SBB100090
    • ANW-
    • 2,3-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran (ACI)
    • 2,3-Dihydrobenzofuran-7-ylboronic acid pinacol ester
    • Z1742231746
    • AKOS015999415
    • DB-079588
    • 934586-50-2
    • EN300-212702
    • J-519030
    • MFCD11109314
    • DTXSID90656414
    • CS-0030621
    • AS-55654
    • SCHEMBL13726936
    • MDL: MFCD11109314
    • Inchi: 1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)11-7-5-6-10-8-9-16-12(10)11/h5-7H,8-9H2,1-4H3
    • InChI Key: HCAAUTYLSSDHFV-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1C2OCCC=2C=CC=1

Computed Properties

  • Exact Mass: 246.14300
  • Monoisotopic Mass: 246.1427246g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 313
  • 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: 27.7

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 357.6±31.0 °C at 760 mmHg
  • Flash Point: 170.1±24.8 °C
  • PSA: 27.69000
  • LogP: 1.92070
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Security Information

2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Pricemore >>

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2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: (Tetrahydrofuran)bis[(1,2,3,4,5-η)-1,2,3,4-tetramethyl-2,4-cyclopentadien-1-yl][… Solvents: Hexane ;  24 h, 100 °C
Reference
Ortho-Selective C-H Borylation of Aromatic Ethers with Pinacol-borane by Organo Rare-Earth Catalysts
Xue, Can; Luo, Yong; Teng, Huailong; Ma, Yuanhong; Nishiura, Masayoshi; et al, ACS Catalysis, 2018, 8(6), 5017-5022

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Toluene ;  overnight, reflux
Reference
Preparation of anthracene compounds as organic electroluminescent device materials
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Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: Dimethyl sulfoxide ;  8 h, 80 °C
Reference
Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ;  8 h, 80 °C
Reference
Condensed-ring pyrimidylamino derivatives, preparation method therefor, and intermediate, pharmaceutical composition and applications in the treatment of cancer
, World Intellectual Property Organization, , ,

2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Raw materials

2-(2,3-dihydro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Preparation Products

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