Cas no 854267-89-3 (1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile)

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile structure
854267-89-3 structure
Product Name:1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile
CAS No:854267-89-3
MF:C9H7ClN2
MW:178.618280649185
MDL:MFCD15523665
CID:1011900
PubChem ID:22159357
Update Time:2024-12-09

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • CYCLOPROPANECARBONITRILE,1-(6-CHLORO-3-PYRIDINYL)-
    • 1-(6-CHLORO-3-PYRIDINYL)-CYCLOPROPANECARBONITRILE
    • 1-(6-chloropyridin-3-yl)cyclopropane-1-carbonitrile
    • 1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile
    • 1-(6-Chloro-3-pyridinyl)cyclopropanecarbonitrile (ACI)
    • 1-(2-Chloropyridin-5-yl)cyclopropanecarbonitrile
    • DTXSID60623037
    • AKOS024262693
    • 854267-89-3
    • Cyclopropanecarbonitrile, 1-(6-chloro-3-pyridinyl)-
    • CS-0088307
    • EN300-341963
    • A1-00911
    • FBIJKNDFKKNDOI-UHFFFAOYSA-N
    • 1-(6-Chloro-pyrid-3-yl)-cyclopropane-1-carbonitrile
    • MFCD15523665
    • 1-(6-Chloro-pyridin-3-yl)-cyclopropanecarbonitrile
    • SCHEMBL350982
    • DA-02240
    • DS-9621
    • MDL： MFCD15523665
    • Inchi： 1S/C9H7ClN2/c10-8-2-1-7(5-12-8)9(6-11)3-4-9/h1-2,5H,3-4H2
    • InChI Key： FBIJKNDFKKNDOI-UHFFFAOYSA-N
    • SMILES： N#CC1(CC1)C1C=CC(Cl)=NC=1

Computed Properties

  • Exact Mass: 178.0297759g/mol
  • Monoisotopic Mass: 178.0297759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 226
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Boiling Point: 335.6±37.0°C at 760 mmHg

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • Storage Condition：Keep in dark place,Sealed in dry,Room Temperature

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Pricemore >>

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1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: Benzyltriethylammonium chloride Solvents: Water ;  60 °C
Reference
The discovery of MK-0674, an orally bioavailable cathepsin K inhibitor
Isabel, Elise; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(3), 887-892

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine ,  Methanesulfonyl chloride Solvents: Dichloromethane ;  -78 °C
1.2 Solvents: Dimethylformamide
2.1 Reagents: Sodium hydroxide Catalysts: Benzyltriethylammonium chloride Solvents: Water ;  60 °C
Reference
The discovery of MK-0674, an orally bioavailable cathepsin K inhibitor
Isabel, Elise; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(3), 887-892

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Raw materials

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Preparation Products

1-(6-Chloropyridin-3-yl)cyclopropanecarbonitrile Related Literature

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