Cas no 1028729-05-6 (4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester)

4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester structure
1028729-05-6 structure
Product Name:4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester
CAS No:1028729-05-6
MF:C22H23BO2
MW:330.227826356888
CID:1134575
PubChem ID:46739055
Update Time:2024-11-04

4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester Chemical and Physical Properties

Names and Identifiers

    • 4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester
    • 4,4,5,5-Tetramethyl-2-(4-(naphthalen-1-yl)phenyl)-1,3,2-dioxaborolane
    • 4,4,5,5-Tetramethyl-2-[4-(1-naphthalenyl)phenyl]-1,3,2-dioxaborolane (ACI)
    • 4,4,5,5-Tetramethyl-2-(4-(naphthalen-4-yl)phenyl)-1,3,2-dioxaborolane
    • 1028729-05-6
    • A937051
    • 4,4,5,5-TETRAMETHYL-2-[4-(NAPHTHALEN-1-YL)PHENYL]-1,3,2-DIOXABOROLANE
    • DB-411776
    • SCHEMBL190941
    • CS-0356631
    • J-000826
    • 4,4,5,5-tetramethyl-2-(4-naphthalen-1-ylphenyl)-1,3,2-dioxaborolane
    • 4,4,5,5-Tetramethyl-2-[4-(1-naphthalenyl)phenyl]-1,3,2-dioxaborolane
    • G66096
    • 4-(naphthalen-1-yl)phenylboronic acid, pinacol ester
    • MFCD09878547
    • Inchi: 1S/C22H23BO2/c1-21(2)22(3,4)25-23(24-21)18-14-12-17(13-15-18)20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,1-4H3
    • InChI Key: SUXXCEUPVUCFGP-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1C=CC(C2C3C(=CC=CC=3)C=CC=2)=CC=1

Computed Properties

  • Exact Mass: 330.17900
  • Monoisotopic Mass: 330.1791101g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 451
  • 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?2

Experimental Properties

  • PSA: 18.46000
  • LogP: 4.80600

4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester Customs Data

  • HS CODE:2707400000
  • Customs Data:

    China Customs Code:

    2707400000

4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester Pricemore >>

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4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium ,  2′-(Dicyclohexylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine ;  3 h
Reference
Electromagnetic Mill Promoted Mechanochemical Solvent-Free Palladium-Catalyzed Borylation of Aryl Bromides
Liu, Yunxia; Li, Xin; Liu, Qing ; Li, Xinjin ; Liu, Hui, Organic Letters, 2022, 24(36), 6604-6608

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide Catalysts: Methanesulfonic acid, 1,1,1-trifluoro-, iron(2+) salt (2:1) Solvents: tert-Butyl methyl ether ;  15 h, 120 °C
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
Development and Mechanistic Studies of Iron-Catalyzed Construction of Csp2-B Bonds via C-O Bond Activation
Geng, Shasha; Zhang, Juan; Chen, Shuo; Liu, Zhengli; Zeng, Xiaoqin; et al, Organic Letters, 2020, 22(14), 5582-5588

Production Method 3

Reaction Conditions
1.1 Reagents: Lithium bis(trimethylsilyl)amide Catalysts: Ferrous chloride Solvents: Toluene ,  Hexamethylphosphoramide ;  12 h, 110 °C
Reference
LiHMDS-Promoted Palladium or Iron-Catalyzed ipso-Defluoroborylation of Aryl Fluorides
Zhao, Xianghu; Wu, Mingsheng; Liu, Yisen; Cao, Song, Organic Letters, 2018, 20(18), 5564-5568

4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester Raw materials

4-(naphthalene-1-yl)phenylboronic Acid Pinacol Ester Preparation Products

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