Cas no 868944-75-6 (3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile)

3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile structure
868944-75-6 structure
Product Name:3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile
CAS No:868944-75-6
MF:C11H13BN2O2
MW:216.044122457504
MDL:MFCD08276020
CID:719007
PubChem ID:16414273
Update Time:2024-10-26

3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile
    • 2-Cyano-3-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-pyridine
    • 2-CYANOPYRIDINE-3-BORONIC ACID NEOPENTYL GLYCOL ESTER
    • 2-Pyridinecarbonitrile,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
    • 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine-2-carbonitrile
    • 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-pyridinecarbonitrile (ACI)
    • 868944-75-6
    • SCHEMBL1934290
    • D71288
    • 3-Hydroxy-2,2-dimethylpropyl hydrogen 2-cyanopyridin-3-yl-3-boronate
    • DTXSID90585997
    • AB44825
    • J-512617
    • MFCD08276020
    • 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-pyridinecarbonitrile
    • CS-0190068
    • AKOS016001720
    • MDL： MFCD08276020
    • Inchi： 1S/C11H13BN2O2/c1-11(2)7-15-12(16-8-11)9-4-3-5-14-10(9)6-13/h3-5H,7-8H2,1-2H3
    • InChI Key： MQCFLENJXOMTMS-UHFFFAOYSA-N
    • SMILES： N#CC1C(B2OCC(C)(C)CO2)=CC=CN=1

Computed Properties

  • Exact Mass: 216.10700
  • Monoisotopic Mass: 216.1070078g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 290
  • 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: 55.1?2

Experimental Properties

  • PSA: 55.14000
  • LogP: 0.72148

3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile 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-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile Pricemore >>

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3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triisopropyl borate ,  Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) ;  2 min, -78 °C; 5 min, -78 °C
1.2 Solvents: Tetrahydrofuran ;  5 min, -78 °C; overnight, 0 °C → rt
1.3 Reagents: Acetic acid
1.4 1 h, rt
1.5 Reagents: Monopotassium phosphate Solvents: Water
Reference
Synthesis of azaphenanthridines via anionic ring closure
Hansen, Henriette M.; et al, Tetrahedron, 2005, 61(42), 9955-9960

3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile Raw materials

3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)picolinonitrile Preparation Products

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