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(E)-3-(Dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one

  • CAS No. 123367-27-1

  • Cat. No. CS-0089797
  • Molecule weight176.22
  • Purity≥98%
  • MDL No.MFCD00115179

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

(E)-3-(Dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one|CS-0089797

Structure of 123367-27-1

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General Information

  • CAS No. 123367-27-1
  • Cat. No. CS-0089797
  • Purity ≥98%
  • MDL No. MFCD00115179
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O
  • Molecular Weight 176.22
  • Synonym(s) 2-Propen-1-one, 3-(dimethylamino)-1-(4-pyridinyl)-, (2E)-
  • SMILES O=C(C1=CC=NC=C1)/C=C/N(C)C

Synthesis

  • Route1
    • 1-(Pyridin-4-yl)ethanone  Imatinib Impurity|CS-0167015
      1122-54-9
    • ~%
    • In-stock
      (E)-3-(Dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one|CS-0089797
      123367-27-1

    References

    • American Cyanamid Company Patent: US4281000 A1, 1981 ;
  • Route2
    • 1-(Pyridin-4-yl)ethanone  Imatinib Impurity|CS-0167015
      1122-54-9
    • In-stock
      DMF-DMA|CS-0016065
      4637-24-5
    • ~92%
    • In-stock
      (E)-3-(Dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one|CS-0089797
      123367-27-1

    References

    • Bindal, Sachin; Kumar, Dinesh; Kommi, Damodara N.; Bhatiya, Sonam; Chakraborti, Asit K. Synthesis, 2011 , # 12 art. no. C01711SS, p. 1930 - 1935

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.2
  • LogP   1.3396
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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