Cas no 819057-45-9 (3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline)

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline structure
819057-45-9 structure
Product Name:3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No:819057-45-9
MF:C12H17BFNO2
MW:237.078286886215
MDL:MFCD09951877
CID:715627
PubChem ID:44755207
Update Time:2024-10-27

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

Names and Identifiers

    • 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • 4-Amino-2-fluorobenzene boronic acid pinacol ester
    • 4-Amino-2-fluorophenylboronic acid pinacol ester
    • Benzenamine,3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 4-Amino-2-Fluorophenylboronic Acid, Pinacol Ester
    • 4-Amino-2-fluorobenzeneboronic acid pinacol ester
    • 3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • SCHEMBL60187
    • Z1483425423
    • DS-17106
    • 4-Amino-2-fluorophenylboronic acid pinacol ester, AldrichCPR
    • 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-aniline
    • A856187
    • BENZENAMINE, 3-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
    • CS-W005873
    • FLMNWVXAEGUVNY-UHFFFAOYSA-N
    • DTXSID30660651
    • AKOS015960167
    • (4-AMINO-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER
    • 819057-45-9
    • 4-amino-2-fluorophenyl boronic acid pinacol ester
    • SY007761
    • EN300-115267
    • MB08227
    • Not available;4-Amino-2-fluorophenylboronic Acid Pinacol Ester
    • MFCD09951877
    • 4-Amino-2-fluorophenylboronic acid picol ester
    • AM806764
    • 3-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine
    • 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine (ACI)
    • [3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine
    • 4-aMino-2-fluorophenylboronic acid pinacol ester, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • MDL： MFCD09951877
    • Inchi： 1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
    • InChI Key： FLMNWVXAEGUVNY-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=CC=1B1OC(C)(C)C(C)(C)O1)N

Computed Properties

  • Exact Mass: 237.13400
  • Monoisotopic Mass: 237.134
  • 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: 44.5A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.11±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 343.6±32.0 °C at 760 mmHg
  • Flash Point: 161.6℃
  • Refractive Index: 1.504
  • PSA: 44.48000
  • LogP: 2.28830
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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

3-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%

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

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

Production Method 1

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,

Production Method 2

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 3

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

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

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

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