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CS-W001157 4
Total: USD 88.00

1-(2,6-Dimethylpyridin-4-yl)ethan-1-one

  • CAS No. 72693-15-3

  • Cat. No. CS-0232178
  • Molecule weight149.19
  • Purity≥95%
  • MDL No.None

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

1-(2,6-Dimethylpyridin-4-yl)ethan-1-one|CS-0232178

Structure of 72693-15-3

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General Information

  • CAS No. 72693-15-3
  • Cat. No. CS-0232178
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO
  • Molecular Weight 149.19
  • Synonym(s) Ethanone, 1-(2,6-dimethyl-4-pyridinyl)- (9CI)
  • SMILES CC1=NC(=CC(=C1)C(=O)C)C

Synthesis

  • Route1
    • In-stock
      2,6-Dimethylisonicotinonitrile|CS-W006231
      39965-81-6
    • null|null
      917-64-6
    • ~11%
    • In-stock
      1-(2,6-Dimethylpyridin-4-yl)ethan-1-one|CS-0232178
      72693-15-3

    References

    • DOV PHARMACEUTICAL, INC. Patent: WO2005/84439 A1, 2005 ; Location in patent: Page/Page column 31-32 ; WO 2005/084439 A1
  • Route2
    • 4-Ethynyl-2,6-dimethylpyridine|CS-0236268
      86520-95-8
    • ~54%
    • In-stock
      1-(2,6-Dimethylpyridin-4-yl)ethan-1-one|CS-0232178
      72693-15-3

    References

    • Sakamoto, Takao; Kondo, Yoshinori; Shiraiwa, Masafumi; Yamanaka, Hiroshi Synthesis, 1984 , # 3 p. 245 - 247

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-H320-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   29.96
  • LogP   1.90104
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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