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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 17129-06-5

  • Cat. No. CS-W007845
  • Purity≥96%
  • MDL No.MFCD00192131

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

4-Ethoxy-1,1,1-trifluorobut-3-en-2-one|CS-W007845

Structure of 17129-06-5

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General Information

  • CAS No. 17129-06-5
  • Cat. No. CS-W007845
  • Purity ≥96%
  • MDL No. MFCD00192131
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇F₃O₂
  • Molecular Weight 168.11
  • Synonym(s) (E)-4-ethoxy-1,1,1-trifluoro-but-3-en-2-one; 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
  • SMILES CCOC=CC(=O)C(F)(F)F

Description

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one reacts with phenylmagnesium bromide to afford ethoxy group substitution products, while it reacts with organozinc compounds to yield products arising from 1,2-addition to the carbonyl group. 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one on heating with triethyl phosphite affords [4+2] cycloaddition product, 2,2,2-triethoxy 2,3-dihydro-3-ethoxy-5-trifluoromethyl-1,25-oxaphospholene, which on hydrolysis affords a 2-oxo-2-hydroxy-2, 3-dihydro-3-hydroxy 5-trifluoromethyl-1,25-oxaphospholen. It reacts with amino to give the N-protected amino acids, which is useful for the peptide synthesis.4-Ethoxy-1,1,1-trifluoro-3-buten-2-one may be used in the synthesis of 4-dialkylamino-1,1,1-trifluorobut-3-ene-2-ones. It may be used for the synthesis of -alkyl- or dialkylamino substituted enones bearing a CF3 group.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS08
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H351
Precautionary Statements : P201-P202-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P308+P313-P370+P378-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.668
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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