Cas no 852227-97-5 (1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine)

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine structure
852227-97-5 structure
Product Name:1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine
CAS No:852227-97-5
MF:C17H26BNO2
MW:287.20484495163
MDL:MFCD07368528
CID:717142
PubChem ID:4961251
Update Time:2024-10-26

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine
    • 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PIPERIDINE
    • 3-(PIPERIDIN-1-YL)BENZENEBORONIC ACID, PINACOL ESTER
    • 3-Piperidinophenylboronic acid, pinacol ester
    • Piperidine,1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
    • 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine (ACI)
    • 2-(3-Piperidin-1-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 3-Piperidinophenylboronic acid pinacol ester
    • W18353
    • CJB22797
    • SCHEMBL3762658
    • AKOS016001492
    • Z2049762211
    • AB32040
    • AS-72236
    • 3-(Piperidino)phenylboronic acid pinacol ester
    • CS-0061099
    • EN300-1674822
    • 1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperidine
    • MFCD07368528
    • 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
    • DTXSID80406884
    • J-504094
    • 852227-97-5
    • 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine, AldrichCPR
    • MDL: MFCD07368528
    • Inchi: 1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-9-8-10-15(13-14)19-11-6-5-7-12-19/h8-10,13H,5-7,11-12H2,1-4H3
    • InChI Key: IIUXWPXCCXVCPD-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1C=C(N2CCCCC2)C=CC=1

Computed Properties

  • Exact Mass: 287.20600
  • Monoisotopic Mass: 287.2056592 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 350
  • 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
  • Molecular Weight: 287.2
  • Topological Polar Surface Area: 21.7?2

Experimental Properties

  • Density: 1.04
  • Melting Point: 156 °C
  • Boiling Point: 419.4°C at 760 mmHg
  • Flash Point: 207.5°C
  • Refractive Index: 1.528
  • PSA: 21.70000
  • LogP: 3.04110

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine 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%

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine Pricemore >>

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1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  12 h, 80 °C
Reference
Kinase Scaffold Repurposing for Neglected Disease Drug Discovery: Discovery of an Efficacious, Lapatanib-Derived Lead Compound for Trypanosomiasis
Patel, Gautam; Karver, Caitlin E.; Behera, Ranjan; Guyett, Paul J.; Sullenberger, Catherine; et al, Journal of Medicinal Chemistry, 2013, 56(10), 3820-3832

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine Raw materials

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine Preparation Products

1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine Related Literature

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