| Identification | More | [Name]
Ethyl 3-amino-4,4,4-trifluorocrotonate | [CAS]
372-29-2 | [Synonyms]
2-BUTENOIC ACID, 3-AMINO-4,4,4-TRIFLUORO, ETHYL ESTER
3-AMINO-4,4,4-TRIFLUOROCROTONIC ACID ETHYL ESTER
3-AMINO-4,4,4-TRIFLUOROCROTONIC ETHYL ESTER
ETHYL 3-AMINO-4,4,4-TRIFLUORO-2-BUTENOATE
ETHYL 3-AMINO-4,4,4-TRIFLUOROBUT-2-ENOATE
ETHYL 3-AMINO-4,4,4-TRIFLUOROCROTONATE
Ethyl 3-Amino-4,4,4-Trifluorocrotonate Ethyl 3-Amino-4,4,4-Trifluoro-2-Butenoate
Ethyl 3-amino-4,4,4-trifluorocrotonate 97%
Ethyl3-amino-4,4,4-trifluorocrotonate97% | [EINECS(EC#)]
609-360-9 | [Molecular Formula]
C6H8F3NO2 | [MDL Number]
MFCD00068195 | [Molecular Weight]
183.13 | [MOL File]
372-29-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless liquid or white solid | [Melting point ]
26°C | [Boiling point ]
83 °C15 mm Hg(lit.)
| [density ]
1.245 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.424(lit.)
| [Fp ]
149 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Colourless to Pale Yellow Low-Melting to Semi-Solid | [pka]
0.76±0.70(Predicted) | [color ]
White or Colorless to Light yellow | [FreezingPoint ]
22.0 to 26.0 ℃ | [Sensitive ]
Air Sensitive | [Usage]
Ethyl 3-amino-4,4,4-trifluorocrotonate is used as building block in chemical synthesis. Attributes Development Product Contact | [BRN ]
4397839 | [InChIKey]
NXVKRKUGIINGHD-ONEGZZNKSA-N | [CAS DataBase Reference]
372-29-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37:Irritating to eyes and respiratory system . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3259 | [WGK Germany ]
3
| [Hazard Note ]
Toxic/Irritant | [HazardClass ]
8 | [HazardClass ]
IRRITANT | [HS Code ]
29224999 |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless liquid or white solid | [Uses]
Ethyl 3-amino-4,4,4-trifluorocrotonate is used as building block in chemical synthesis. Attributes Development Product Contact | [Synthesis]
A slurry of sodium enolides was prepared from ethyl trifluoroacetate (88.1 g, 1.0 mol) and ethyl acetate (71.05 g, 0.50 mol) by mixing with solid sodium ethoxide (34.05 g, 0.5 mol). The mixture was evaporated and concentrated with reference to the operation of Example 1. Subsequently, 250 ml of cyclohexane was added to the reaction system, followed by ammonium acetate (77.1 g, 1.0 mol) and anhydrous acetic acid (39.0 g, 0.65 mol). The resulting suspension was heated to boiling, water was separated by distillation and cyclohexane was refluxed into the reaction mixture. The reaction was terminated after 5 hours. The organic phase was separated by adding 300 mL of water. Cyclohexane was removed from the organic phase by distillation and the product was subsequently fractionated under vacuum. 57.0 g of ethyl 3-amino-4,4,4-trifluorobut-2-enoate was obtained with 97.4% purity and 62% yield. The product was analyzed by EI mass spectrometry ([M+] = 183 AMU), 1H-NMR (7.6 ppm, NH; 4.86 ppm, 1H, CH; 4.08 ppm, Quadruple peak, 2H, ethyl; 1.18 ppm, Triple peak, 3H, ethyl) and 13C-NMR (168 ppm, COOEt; 147 ppm, Quadruple peak, C-NH2. 120 ppm, broad quadruple peak, CF3; 82 ppm, quadruple peak, CH; 59 ppm, ethyl; 14 ppm, ethyl) were characterized. | [References]
[1] Patent: WO2004/16579, 2004, A1. Location in patent: Page 9; 10 |
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