Cas no 1003575-43-6 (3-Amino-4-fluorophenylboronic Acid Pinacol Ester)

3-Amino-4-fluorophenylboronic Acid Pinacol Ester structure
1003575-43-6 structure
Product Name:3-Amino-4-fluorophenylboronic Acid Pinacol Ester
CAS No:1003575-43-6
MF:C12H17BFNO2
MW:237.078286886215
MDL:MFCD11044430
CID:857387
Update Time:2025-04-19

3-Amino-4-fluorophenylboronic Acid Pinacol Ester Chemical and Physical Properties

Names and Identifiers

    • 3-AMINO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
    • 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • 2-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine
    • 3-Amino-4-fluorophenylboronic acid pinacol ester
    • 3-Amino-4-fluorophenylboronic acid, pinacol ester, AldrichCPR
    • VXNIVUKZNDRJBW-UHFFFAOYSA-N
    • ZXBA000522
    • FCH2835652
    • AM86197
    • PC52054
    • MB09119
    • SY038295
    • BC000008
    • AX8228413
    • AB1007770
    • ST240222
    • 3-Amino-4-fluorophenylboronic Acid Pinacol Ester
    • MDL: MFCD11044430
    • Inchi: 1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3
    • InChI Key: VXNIVUKZNDRJBW-UHFFFAOYSA-N
    • SMILES: FC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1N

Computed Properties

  • Exact Mass: 237.13400
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 282
  • Topological Polar Surface Area: 44.5

Experimental Properties

  • Density: 1.11±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 54.0-55.1 oC
  • PSA: 44.48000
  • LogP: 2.28830

3-Amino-4-fluorophenylboronic Acid Pinacol Ester Security Information

3-Amino-4-fluorophenylboronic 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-Amino-4-fluorophenylboronic Acid Pinacol Ester Pricemore >>

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3-Amino-4-fluorophenylboronic Acid Pinacol Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Pyridine ,  Sulfur trioxide-pyridine Solvents: Dichloromethane ;  18 h, rt; 1 h, 40 °C
1.2 1 h, rt
2.1 Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium ,  4,4′-Dimethoxy-2,2′-bipyridine Solvents: 1,4-Dioxane ;  36 h, 60 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 1 - 2, 60 °C → rt
Reference
Para-Selective, Iridium-Catalyzed C-H Borylations of Sulfated Phenols, Benzyl Alcohols, and Anilines Directed by Ion-Pair Electrostatic Interactions
Montero Bastidas, Jose R.; et al, Journal of the American Chemical Society, 2019, 141(39), 15483-15487

Production Method 2

Reaction Conditions
1.1 Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium ,  4,4′-Dimethoxy-2,2′-bipyridine Solvents: 1,4-Dioxane ;  36 h, 60 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  1 h, pH 1 - 2, 60 °C → rt
Reference
Para-Selective, Iridium-Catalyzed C-H Borylations of Sulfated Phenols, Benzyl Alcohols, and Anilines Directed by Ion-Pair Electrostatic Interactions
Montero Bastidas, Jose R.; et al, Journal of the American Chemical Society, 2019, 141(39), 15483-15487

3-Amino-4-fluorophenylboronic Acid Pinacol Ester Raw materials

3-Amino-4-fluorophenylboronic Acid Pinacol Ester Preparation Products

3-Amino-4-fluorophenylboronic Acid Pinacol Ester Related Literature

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