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Merck
CN

443697

Ethyl 3-amino-4,4,4-trifluorocrotonate

96%

Synonym(s):

Ethyl 3-amino-4,4,4-trifluoro-2-butenoate

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About This Item

Linear Formula:
CF3C(NH2)=CHCO2C2H5
CAS Number:
Molecular Weight:
183.13
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
96%
Form:
liquid
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InChI

1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3

SMILES string

CCOC(=O)C=C(N)C(F)(F)F

InChI key

NXVKRKUGIINGHD-UHFFFAOYSA-N

assay

96%

form

liquid

refractive index

n20/D 1.424 (lit.)

bp

83 °C/15 mmHg (lit.)

density

1.245 g/mL at 25 °C (lit.)

General description

Ethyl 3-amino-4,4,4-trifluorocrotonate is an ester.

Application

Ethyl 3-amino-4,4,4-trifluorocrotonate may be employed for the preparation of 4-trifluoromethyl-1,3-oxazin-6-ones and 4-quinolinone derivatives.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

149.0 °F - closed cup

flash_point_c

65 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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A convenient route to diverse heterocycles through an addition of ?-amino carbonyl compounds to 3-halogeno-4-methoxybenzynes.
Yoon K, et al.
The Journal of Organic Chemistry, 70(14), 5741-5744 (2015)
Journal of Heterocyclic Chemistry, 30, 71-71 (1993)
Journal of Heterocyclic Chemistry, 30, 49-49 (1993)
Aliphatic fluorine-containing amino acids.
Kukhar VP and Soloshonok VA.
Russ. Chem. Rev., 60(8), 850-850 (1991)
Syntheses of New 4-Trifluoromethylated 1, 3-Oxazin-6-Ones from the Enamine of Ethyl Trifluoroacetoacetate.
Decock-Plancquaert M-a, et al.
Bull. Soc. Chim. Belg., 101(4), 313-321 (1992)

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