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CS-W001157 4
Total: USD 88.00

Methyl 3-oxo-3-(pyridin-4-yl)propanoate

  • CAS No. 829-45-8

  • Cat. No. CS-0037567
  • Purity≥97%
  • MDL No.MFCD00466380

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

Methyl 3-oxo-3-(pyridin-4-yl)propanoate|CS-0037567

Structure of 829-45-8

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General Information

  • CAS No. 829-45-8
  • Cat. No. CS-0037567
  • Purity ≥97%
  • MDL No. MFCD00466380
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight None
  • Synonym(s) Methyl 3-oxo-3-(pyridin-4-yl)
  • SMILES COC(=O)CC(=O)C1=CC=NC=C1

Synthesis

  • Route1
    • 1-(Pyridin-4-yl)ethanone  Imatinib Impurity|CS-0167015
      1122-54-9
    • null|null
      616-38-6
    • ~55%
    • In-stock
      Methyl 3-oxo-3-(pyridin-4-yl)propanoate|CS-0037567
      829-45-8

    References

    • Chemical Communications, , vol. 49, # 15 p. 1521 - 1523
  • Route2
    • Methyl isonicotinate Topiroxostat  Impurity|CS-0229355
      2459-09-8
    • null|null
      79-20-9
    • ~84%
    • In-stock
      Methyl 3-oxo-3-(pyridin-4-yl)propanoate|CS-0037567
      829-45-8

    References

    • Journal of the American Chemical Society, , vol. 115, # 25 p. 11705 - 11715
  • Route3
    • Methyl isonicotinate Topiroxostat  Impurity|CS-0229355
      2459-09-8
    • null|null
      108-21-4
    • ~%
    • null|null
      1346518-21-5
    • In-stock
      Methyl 3-oxo-3-(pyridin-4-yl)propanoate|CS-0037567
      829-45-8

    References

    • WO2011/138250 A1, ; Page/Page column 7-9 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.26
  • LogP   0.8274
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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