Cas no 942069-95-6 (3,4,5-Trichlorophenylboronic Acid Pinacol Ester)

3,4,5-Trichlorophenylboronic Acid Pinacol Ester structure
942069-95-6 structure
Product Name:3,4,5-Trichlorophenylboronic Acid Pinacol Ester
CAS No:942069-95-6
MF:C12H14BCl3O2
MW:307.408360958099
MDL:MFCD11504973
CID:839807
PubChem ID:46739226
Update Time:2024-10-25

3,4,5-Trichlorophenylboronic Acid Pinacol Ester Chemical and Physical Properties

Names and Identifiers

    • 4,4,5,5-Tetramethyl-2-(3,4,5-trichlorophenyl)-1,3,2-dioxaborolane
    • 3,4,5-TRICHLOROPHENYLBORONIC ACID, PINACOL ESTER
    • B-4546
    • 4,4,5,5-Tetramethyl-2-(3,4,5-trichlorophenyl)-1,3,2-dioxaborolane (ACI)
    • 3,4,5-Trichlorophenylboronic Acid Pinacol Ester
    • EN300-233672
    • SCHEMBL4789211
    • Z2044775789
    • AKOS016001184
    • MFCD11504973
    • BS-23188
    • 942069-95-6
    • CS-0175544
    • DTXSID90674850
    • 3,4,5-Trichlorophenylboronic acid,pinacol ester
    • 3,4,5-Trichlorophenylboronic Acid Pinacol Ester
    • MDL: MFCD11504973
    • Inchi: 1S/C12H14BCl3O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3
    • InChI Key: OTPVENHYVDCFAO-UHFFFAOYSA-N
    • SMILES: ClC1C(Cl)=C(Cl)C=C(B2OC(C)(C)C(C)(C)O2)C=1

Computed Properties

  • Exact Mass: 306.01500
  • Monoisotopic Mass: 306.015243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 296
  • 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: 3.94600

3,4,5-Trichlorophenylboronic 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%

3,4,5-Trichlorophenylboronic Acid Pinacol Ester Pricemore >>

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abcr
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3,4,5-Trichlorophenylboronic Acid Pinacol Ester Production Method

Production Method 1

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. ; Martinez, Antonio; Olivan, Montserrat; Onate, Enrique, Chemistry - A European Journal, 2020, 26(55), 12632-12644

Production Method 2

Reaction Conditions
1.1 Reagents: 4,4′-Bis(1,1-dimethylethyl)-2,2′-bipyridine Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium ;  1 min, rt
1.2 2 h, 80 °C
Reference
Harnessing C-H Borylation/Deborylation for Selective Deuteration, Synthesis of Boronate Esters, and Late Stage Functionalization
Kallepalli, Venkata A.; Gore, Kristin A.; Shi, Feng; Sanchez, Luis; Chotana, Ghayoor A.; et al, Journal of Organic Chemistry, 2015, 80(16), 8341-8353

Production Method 3

Reaction Conditions
1.1 Reagents: 2,6-Bis(1-methylethyl)-N-(2-pyridinylmethylene)benzenamine Catalysts: Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]diiridium Solvents: Heptane ;  < 1 min, rt; 18 h, rt → reflux
Reference
Preparation of cyanotriazolylphenylisoxazolines as pesticides.
, World Intellectual Property Organization, , ,

3,4,5-Trichlorophenylboronic Acid Pinacol Ester Raw materials

3,4,5-Trichlorophenylboronic Acid Pinacol Ester Preparation Products

3,4,5-Trichlorophenylboronic Acid Pinacol Ester Related Literature

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