Cas no 819058-34-9 (2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline)

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is a versatile organic compound featuring a fluorinated aniline core. This compound exhibits enhanced stability and reactivity due to its unique boron-containing moiety, making it ideal for organic synthesis and material science applications. Its structural features allow for facile modifications and efficient transformations, rendering it a valuable tool in the development of novel compounds.
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline structure
819058-34-9 structure
Product Name:2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No:819058-34-9
MF:C12H17BFNO2
MW:237.078286886215
MDL:MFCD09033884
CID:715628
PubChem ID:17906172
Update Time:2025-10-18

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • 4-Amino-3-fluorobenzeneboronic acid pinacol ester
    • 4-Amino-3-fluorophenylboronic acid pinacol ester
    • Benzenamine,2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 2-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenylamine
    • 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
    • 4-Amino-3-Fluorophenylboronic Acid, Pinacol Ester
    • 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine (ACI)
    • 2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine
    • DS-13208
    • 2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine
    • BENZENAMINE, 2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
    • Z1741977421
    • 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-aniline
    • (4-AMINO-3-FLUOROPHENYL)BORONIC ACID PINACOL ESTER
    • 2-fluoro-4-(4 pound not4 pound not5 pound not5-tetramethyl-1 pound not3 pound not2-dioxaborolan-2-yl)aniline
    • EN300-1723410
    • SCHEMBL59080
    • AIXGNRNTXUKZLC-UHFFFAOYSA-N
    • SY011627
    • 4-Amino-3-fluorophenylboronic acid pinacol ester, AldrichCPR
    • CS-W008460
    • 819058-34-9
    • DTXSID10591550
    • MB06838
    • MFCD09033884
    • AKOS015920193
    • MDL： MFCD09033884
    • Inchi： 1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7H,15H2,1-4H3
    • InChI Key： AIXGNRNTXUKZLC-UHFFFAOYSA-N
    • SMILES： FC1C(N)=CC=C(B2OC(C)(C)C(C)(C)O2)C=1

Computed Properties

  • Exact Mass: 237.13400
  • Monoisotopic Mass: 237.1336371g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 282
  • 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: 44.5?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.11
  • Melting Point: No data available
  • Boiling Point: 334 oC
  • Flash Point: 156 oC
  • Refractive Index: 1.504
  • PSA: 44.48000
  • LogP: 2.28830
  • Sensitiveness: Air Sensitive
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Security Information

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Customs Data

  • HS CODE：2931900090
  • Customs Data：

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Pricemore >>

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2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: tert-Butyl nitrite Catalysts: Benzoyl peroxide Solvents: Acetonitrile ;  4 h, rt
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  4 h, rt
Reference
Synthesis of Trimethylstannyl Arylboronate Compounds by Sandmeyer-Type Transformations and Their Applications in Chemoselective Cross-Coupling Reactions
Qiu, Di; et al, Journal of Organic Chemistry, 2014, 79(5), 1979-1988

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

Production Method 3

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 4

Reaction Conditions
1.1 Reagents: Triethylamine ,  Nickel dichloride Solvents: 1,4-Dioxane ;  0.5 h, rt
Reference
Synthesis, Crystal Structure, And DFT Study Of N-(2-Fluoro-4-(4,4,5,5- Tetramethyl-1,3,2-Dioxin-2-Yl)Phenyl)- 3-Methyl-Butanamide
Guo, Q.; et al, Journal of Structural Chemistry, 2022, 63(1), 100-113

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  4 h, rt
Reference
Synthesis of Trimethylstannyl Arylboronate Compounds by Sandmeyer-Type Transformations and Their Applications in Chemoselective Cross-Coupling Reactions
Qiu, Di; et al, Journal of Organic Chemistry, 2014, 79(5), 1979-1988

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  12 h, rt → 90 °C
Reference
Discovery of pyrrolo[2,3-d]pyrimidine derivatives as potent Axl inhibitors: Design, synthesis and biological evaluation
Xu, Dandan; et al, European Journal of Medicinal Chemistry, 2021, 220,

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Raw materials

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Preparation Products

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline Related Literature

819058-34-9 (2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline) Related Products

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