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CS-W001157 4
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Methyl 1-benzyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

  • CAS No. 156779-10-1

  • Cat. No. CS-0464049
  • Molecule weight245.27
  • Purity≥97%
  • MDL No.MFCD18651682

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

Methyl 1-benzyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0464049

Structure of 156779-10-1

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General Information

  • CAS No. 156779-10-1
  • Cat. No. CS-0464049
  • Purity ≥97%
  • MDL No. MFCD18651682
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₃
  • Molecular Weight 245.27
  • Synonym(s) Methyl 1-Benzyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylate
  • SMILES COC(=O)C1=CN(CC2=CC=CC=C2)C(=O)CC1

Synthesis

  • Route1
    • null|null
      814-68-6
    • null|null
      14376-92-2
    • ~%
    • Methyl 1-benzyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0464049
      156779-10-1

    References

    • Botuha, Candice; Galley, Carl M. S.; Gallagher, Timothy Organic and Biomolecular Chemistry, 2004 , vol. 2, # 13 p. 1825 - 1826
  • Route2
    • null|null
      922-67-8
    • null|null
      814-68-6
    • null|null
      100-46-9
    • ~54%
    • Methyl 1-benzyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0464049
      156779-10-1

    References

    • O'Reilly, Elaine; Pes, Lara; Ortin, Yannick; Mueller-Bunz, Helge; Paradisi, Francesca Amino Acids, 2013 , vol. 44, # 2 p. 511 - 518
  • Route3
    • null|null
      100-46-9
    • ~%
    • Methyl 1-benzyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate|CS-0464049
      156779-10-1

    References

    • Botuha, Candice; Galley, Carl M. S.; Gallagher, Timothy Organic and Biomolecular Chemistry, 2004 , vol. 2, # 13 p. 1825 - 1826

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.8659
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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