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443697

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

Name: Ethyl 3-amino-4,4,4-trifluorocrotonate
Brand: ALDRICH

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:

372-29-2

Molecular Weight:

183.13

UNSPSC Code:

12352100

PubChem Substance ID:

24868069

MDL number:

MFCD00068195

Assay:

96%

Form:

liquid

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Properties

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.)

SMILES string

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

InChI

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

InChI key

NXVKRKUGIINGHD-UHFFFAOYSA-N

Description

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

GHS07

signalword

Warning

hcodes

H302 + H312,H319,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

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)

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Global Trade Item Number

SKU	GTIN
443697-10G	04061836677688