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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(dimethylamino)nicotinonitrile

  • CAS No. 147992-80-1

  • Cat. No. CS-0148316
  • Molecule weight181.62
  • Purity≥97%
  • MDL No.MFCD00563985

*For research and further manufacturing use only, not for direct human use.

2-Chloro-4-(dimethylamino)nicotinonitrile|CS-0148316

Structure of 147992-80-1

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General Information

  • CAS No. 147992-80-1
  • Cat. No. CS-0148316
  • Purity ≥97%
  • MDL No. MFCD00563985
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClN₃
  • Molecular Weight 181.62
  • Synonym(s) chlorodimethylaminonicotinonitrile
  • SMILES N#CC1=C(Cl)N=CC=C1N(C)C

Synthesis

  • Route1
    • null|null
      98694-71-4
    • ~97%
    • 2-Chloro-4-(dimethylamino)nicotinonitrile|CS-0148316
      147992-80-1

    References

    • ABBOTT LABORATORIES Patent: WO2006/81072 A1, 2006 ; Location in patent: Page/Page column 30-31 ; WO 2006/081072 A1
  • Route2
    • 4-(Dimethylamino)-2-hydroxynicotinonitrile|CS-0454111
      62321-91-9
    • ~%
    • 2-Chloro-4-(dimethylamino)nicotinonitrile|CS-0148316
      147992-80-1

    References

    • US2006/9477 A1, ; Page/Page column 65-66; 81 ; US 20060009477 A1
  • Route3
    • (E)-2-(1,3-Bis(dimethylamino)allylidene)malononitrile|CS-1055265
      91945-90-3
    • ~99%
    • 2-Chloro-4-(dimethylamino)nicotinonitrile|CS-0148316
      147992-80-1

    References

    • Zheng, Guo Zhu; Bhatia, Pramila; Daanen, Jerome; Kolasa, Teodozyj; Patel, Meena; Latshaw, Steven; El Kouhen, Odile F.; Chang, Renjie; Uchic, Marie E.; Miller, Loan; Nakane, Masaki; Lehto, Sonya G.; Honore, Marie P.; Moreland, Robert B.; Brioni, Jorge D.; Stewart, Andrew O. Journal of Medicinal Chemistry, 2005 , vol. 48, # 23 p. 7374 - 7388

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.92
  • LogP   1.67268
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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