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Name	Ethyl 4,4,4-trifluorocrotonate	EINECS	-0
CAS No.	25597-16-4	Density	1.191 g/cm³
PSA	26.30000	LogP	1.66800
Solubility	N/A	Melting Point	N/A
Formula	C₆H₇F₃O₂	Boiling Point	114.5 °C at 760 mmHg
Molecular Weight	168.116	Flash Point	25.6 °C
Transport Information	UN 3272 3/PG 3	Appearance	Colorless and clear liquid
Safety	16-26-27-28-36/37/39	Risk Codes	10-36/37/38
Molecular Structure		Hazard Symbols	Xi; F
Synonyms	2-Butenoicacid, 4,4,4-trifluoro-, ethyl ester, (E)-;(E)-Ethyl4,4,4-trifluorobut-2-enoate;Ethyl (E)-4,4,4-trifluorocrotonate;	Article Data	34

Ethyl 4,4,4-trifluorocrotonate Synthetic route

: 372-30-5
ethyl 3-hydroxy-4,4,4-trifluorobutyrate

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In diethyl ether Ambient temperature;	96%
With methanesulfonyl chloride; triethylamine In dichloromethane at -70 - 25℃; for 1h; Reagent/catalyst;	87%
With triethylamine; p-toluenesulfonyl chloride	82%

: 887144-94-7
Togni's reagent II

: 2459-05-4
(E)-4-ethoxy-4-oxobut-2-enoic acid

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 24h; Sealed tube; stereoselective reaction;	93%

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

Conditions

Conditions	Yield
Stage #1: ethyl 4,4,4-trifluoroacetoacetate With sodium tetrahydroborate In diethyl ether Stage #2: With phosphorus pentoxide In diethyl ether	70%
Multi-step reaction with 2 steps 1: 94 percent / sodium borohydride / toluene / 4.5 h / 20 °C 2: 69 percent / phosphorus pentoxide / 1 h View Scheme

: 64-17-5
ethanol

: 406-94-0, 130130-81-3, 71027-02-6
3-(trifluoromethyl)acrylic acid

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

Conditions

Conditions	Yield
With sulfuric acid Heating;

: 75-90-1
2,2,2-Trifluoroacetaldehyde

: 105-53-3
diethyl malonate

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

: 372-30-5
ethyl 3-hydroxy-4,4,4-trifluorobutyrate

A: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

B: 91600-34-9, 406-10-0, 25597-16-4
ethyl (Z)-β-trifluoromethylacrylate

Conditions

Conditions	Yield
With phosphorus pentaoxide for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 372-30-5
ethyl 3-hydroxy-4,4,4-trifluorobutyrate

A: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

B: 94725-82-3
ethyl 3,4,4,4-tetrafluorobutyrate

C: 344883-34-7
4,4,4-Trifluoro-3-fluorosulfinyloxy-butyric acid ethyl ester

Conditions

Conditions	Yield
With sulfur tetrafluoride; sodium fluoride 1.) steel autoclave; 2.) 20 deg C, 60 h; Yield given. Multistep reaction. Yields of byproduct given;

: 372-30-5
ethyl 3-hydroxy-4,4,4-trifluorobutyrate

phosphorus (V)-oxide: phosphorus (V)-oxide

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

: 372-30-5
ethyl 3-hydroxy-4,4,4-trifluorobutyrate

boroxide: boroxide

A: 406-94-0
(E)-4,4,4-trifluorobut-2-enoate

B: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

Conditions

Conditions	Yield
at 350℃;

: 2-ethoxycarbonyl-1-(trifluoromethyl)ethyl pentanoate

: 25597-16-4
ethyl 4,4,4-trifluorocrotonate

Conditions

Conditions	Yield
With sodium carbonate	15.90 g (91%)
With caesium carbonate	13.47 g (87%)
With sodium carbonate	15.90 g (91%)
With caesium carbonate	13.47g (87%)

Ethyl 4,4,4-trifluorocrotonate Chemical Properties

IUPAC Name: Ethyl (E)-4,4,4-trifluorobut-2-enoate
Molecular Formula: C₆H₇F₃O₂
Molecular Weight: 168.1138
Density: 1.191 g/cm³
Boiling Point: 114.5 °C at 760 mmHg
Flash Point: 25 ºC
Appearance: colorless and clear liquid
Freely Rotating Bonds: 3
Polar Surface Area: 26.3 Å²
Index of Refraction: 1.372
Molar Refractivity: 32.13 cm³
Molar Volume: 141 cm³
Polarizability: 12.73 ×10^-24cm³
Surface Tension: 22.2 dyne/cm
Enthalpy of Vaporization: 35.29 kJ/mol
Vapour Pressure: 19.9 mmHg at 25°C
The Cas Register Number of 2-Butenoic acid,4,4,4-trifluoro-, ethyl ester, (2E)- is 25597-16-4 . The chemical synonyms of 2-Butenoic acid,4,4,4-trifluoro-, ethyl ester, (2E)- (CAS NO.25597-16-4) are 4.4.4-Trifluorocrotonic acid ethyl ester ; Ethyl 4,4,4-trifluorocrotonate ; Ethyl 4,4,4-Trifluoro-trans-2-butenoate ; Ethyl (2E)-4,4,4-trifluoro-2-butenoate ; Ethyl 4,4,4-trifluorocrotonate 98% ; Ethyl4,4,4-trifluorocrotonate98% ; 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)- ; 4,4,4-trifluorocrotonate . The molecular structure of 2-Butenoic acid,4,4,4-trifluoro-, ethyl ester, (2E)- (CAS NO.25597-16-4) is.

Ethyl 4,4,4-trifluorocrotonate Uses

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester, (2E)- (CAS NO.25597-16-4) is used in organic reagent, pharmaceutical intermediate.

Ethyl 4,4,4-trifluorocrotonate Safety Profile

Hazard Codes: Irritant Xi ,F
Risk Statements: 10-36/37-36/37/38
R10: Flammable.
R36/37: Irritating to eyes and respiratory system.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-27-28-36/37/39-37/39
S16: Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27: Take off immediately all contaminated clothing.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S37/39: Wear suitable gloves and eye/face protection.
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III

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