Cas no 874290-89-8 (3-Cyanopyridine-4-boronicacid)

3-Cyanopyridine-4-boronicacid structure
3-Cyanopyridine-4-boronicacid structure
Product Name:3-Cyanopyridine-4-boronicacid
CAS No:874290-89-8
MF:C6H5BN2O2
MW:147.927100896835
MDL:MFCD09037480
CID:69200
PubChem ID:44755175
Update Time:2024-10-26

3-Cyanopyridine-4-boronicacid Chemical and Physical Properties

Names and Identifiers

    • 3-Cyanopyridine-4-boronic acid
    • (3-Cyanopyridin-4-yl)boronic acid
    • 3-CYANOPYRIDIN-4-YLBORONIC ACID
    • 3-cyano-4-pyridylboronic acid
    • Boronic acid,B-(3-cyano-4-pyridinyl)
    • B-(3-Cyano-4-pyridinyl)boronic acid (ACI)
    • Boronic acid, (3-cyano-4-pyridinyl)- (9CI)
    • EN300-814005
    • AKOS022177400
    • SY021524
    • 3-Cyanopyridine-4-boronicacid
    • (3-Cyanopyridin-4-yl)boronicacid
    • CS-0174451
    • DB-010574
    • DTXSID40660622
    • 3-Cyano-4-pyridineboronic Acid
    • Boronic acid, (3-cyano-4-pyridinyl)-
    • 3-cyanopyridine-4-boronic acid, AldrichCPR
    • AB49468
    • AS-55552
    • CHEMBL3236587
    • F16151
    • 874290-89-8
    • MFCD09037480
    • SCHEMBL4359777
    • MDL: MFCD09037480
    • Inchi: 1S/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
    • InChI Key: BIFLCXDWWOPWRD-UHFFFAOYSA-N
    • SMILES: N#CC1C(B(O)O)=CC=NC=1

Computed Properties

  • Exact Mass: 148.04400
  • Monoisotopic Mass: 148.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 177
  • 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: 77.1A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: No data available
  • Melting Point: No data available
  • Boiling Point: 407.9℃ at 760 mmHg
  • Flash Point: No data available
  • Refractive Index: 1.561
  • PSA: 77.14000
  • LogP: -1.36692
  • Vapor Pressure: No data available

3-Cyanopyridine-4-boronicacid Security Information

3-Cyanopyridine-4-boronicacid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Cyanopyridine-4-boronicacid Pricemore >>

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3-Cyanopyridine-4-boronicacid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) Solvents: Tetrahydrofuran ;  0.5 h, -80 °C
1.2 Reagents: Triisopropyl borate ;  0.5 h, -80 °C; -80 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 6, rt
Reference
Synthesis of ortho-cyanopyridylboronic acids and esters toward cyano-functionalized bipyridines
Cailly, Thomas; et al, Synlett, 2006, (1), 53-56

3-Cyanopyridine-4-boronicacid Raw materials

3-Cyanopyridine-4-boronicacid Preparation Products

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