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CS-W001157 4
Total: USD 88.00

4-Diethylamino-1,1,1-trifluorobut-3-en-2-one

  • CAS No. 21045-62-5

  • Cat. No. CS-0121247
  • Purity≥98%
  • MDL No.MFCD00115108

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

4-Diethylamino-1,1,1-trifluorobut-3-en-2-one|CS-0121247

Structure of 21045-62-5

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General Information

  • CAS No. 21045-62-5
  • Cat. No. CS-0121247
  • Purity ≥98%
  • MDL No. MFCD00115108
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂F₃NO
  • Molecular Weight 195.18
  • Synonym(s) None
  • SMILES O=C(/C=C/N(CC)CC)C(F)(F)F

Synthesis

  • Route1
    • Cis-cyclooctane-1,2-diol|CS-0160249
      27607-33-6
    • ~0%
    • null|null
      3008-37-5
    • 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one|CS-0121247
      21045-62-5

    References

    • Amon, Catherine M.; Banwell, Martin G.; Gravatt, G.Lance Journal of Organic Chemistry, 1987 , vol. 52, # 22 p. 4851 - 4855
  • Route2
    • null|null
      121-44-8
    • null|null
      407-25-0
    • ~%
    • 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one|CS-0121247
      21045-62-5

    References

    • Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 23, # 11 p. 2421 - 2424 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , vol. 23, # 11 p. 2513 - 2517
  • Route3
    • null|null
      59938-06-6
    • null|null
      109-89-7
    • ~%
    • 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one|CS-0121247
      21045-62-5

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 26, # 9.1 p. 1623 - 1628 Zhurnal Organicheskoi Khimii, , vol. 26, # 9 p. 1877 - 1883

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H302-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P330-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.9733
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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