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tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate

  • CAS No. 873551-20-3

  • Cat. No. CS-0006498
  • Molecule weight208.26
  • Purity≥95%
  • MDL No.MFCD22665818

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

tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate|CS-0006498

Structure of 873551-20-3

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General Information

  • CAS No. 873551-20-3
  • Cat. No. CS-0006498
  • Purity ≥95%
  • MDL No. MFCD22665818
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆N₂O₂
  • Molecular Weight 208.26
  • Synonym(s) tert-butyl 4-cyano-3,6-dihydropyridine-1(2H)-carboxylate
  • SMILES O=C(OC(C)(C)C)N1CCC(C#N)=CC1

Synthesis

  • Route1

    References

    • SYNGENTA PARTICIPATIONS AG; LAMBERTH, Clemens; SULZER-MOSSE, Sarah; CEDERBAUM, Fredrik; UMARYE, Jayant; SONAWANE, Ravindra Patent: WO2013/127808 A1, 2013 ; Location in patent: Page/Page column 31 ;
  • Route2
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      79099-07-3
    • ~%
    • tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate|CS-0006498
      873551-20-3

    References

    • SYNGENTA PARTICIPATIONS AG; LAMBERTH, Clemens; SULZER-MOSSE, Sarah; CEDERBAUM, Fredrik; UMARYE, Jayant; SONAWANE, Ravindra Patent: WO2013/127808 A1, 2013 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   2.07718
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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