ChemicalBook--->CAS DataBase List--->406-10-0

406-10-0

406-10-0 Structure

406-10-0 Structure
IdentificationBack Directory
[Name]

ethyl 4,4,4-trifluorobut-2-enoate
[CAS]

406-10-0
[Synonyms]

ethyl 4,4,4-trifluorobut-2-enoate
4,4,4-trifluoro-2-Butenoic acid ethyl ester
2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester
[Molecular Formula]

C6H7F3O2
[MDL Number]

MFCD00009903
[MOL File]

406-10-0.mol
[Molecular Weight]

168.11
Chemical PropertiesBack Directory
[density ]

1.125 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.3601(lit.)
[Fp ]

26°C
[form ]

liquid
[Boiling point ]

114-115°C(lit.)
[InChI]

1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
[InChIKey]

ZKRJCMKLCDWROR-ONEGZZNKSA-N
[SMILES]

CCOC(=O)\C=C\C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H319-H335
[Precautionary statements ]

P210-P305+P351+P338
[RIDADR ]

UN 3272 3 / PGIII
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
STOT SE 3
Hazard InformationBack Directory
[Uses]

Ethyl 4,4,4-trifluorocrotonate was used in the synthesis of (2S,3S)-3-methyl- and (2S,3S)-3-trifluoromethylpyroglutamic acid. It undergoes diastereoselective Michael addition reaction with ethyl crotonate.
[General Description]

The Michael reaction between ethyl 4,4,4-trifluorocrotonate and a Ni(II) complex of the Schiff base of glycine with (S)-o-[N-(N-benzylprolyl)amino]benzophenone was studied.
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 4,4,4-trifluorobut-2-enoate(406-10-0)1HNMR
ethyl 4,4,4-trifluorobut-2-enoate(406-10-0)FT-IR
ethyl 4,4,4-trifluorobut-2-enoate(406-10-0)IR
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