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441236

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans

96%

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About This Item

Linear Formula:
CF3COC(=CHOC2H5)CO2C2H5
CAS Number:
571-55-1
Molecular Weight:
240.18
NACRES:
NA.22
PubChem Substance ID:
24867645
UNSPSC Code:
12352100
MDL number:
MFCD02677683
Assay:
96%
Form:
liquid
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Quality Level

100

assay

96%

form

liquid

refractive index

n20/D 1.429 (lit.)

bp

80-82 °C/1 mmHg (lit.)

density

1.235 g/mL at 25 °C (lit.)

functional group

ester, ether, fluoro, ketone

storage temp.

2-8°C

SMILES string

CCO\C=C(\C(=O)OCC)C(=O)C(F)(F)F

InChI

1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+

InChI key

XNGGOXOLHQANRB-AATRIKPKSA-N

General description

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate has been reported to participate in the microwave-assisted synthesis of ethyl 1-[4-(2,3,3-trichloroacrylamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate.

Application

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate may be employed as a starting reagent for the synthesis of 1-methyl-3-trifluoromethyl-1H-pyrazole-4- carboxylic acid.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

219.2 °F - closed cup

flash_point_c

104.00 °C - closed cup

ppe

Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBT6173V
MKBQ7502V
MKBN4945V
04813CJ
09401EH

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European Journal of Medicinal Chemistry, 28, 853-853 (1993)
P J Sanfilippo et al.
Journal of medicinal chemistry, 38(1), 34-41 (1995-01-06)
The synthesis and biological activity of novel thiazole-based heterocycles as inhibitors of thrombin-induced human platelet aggregation are described. Further evaluation of selected compounds show they inhibit platelet aggregation as stimulated by a variety of agonists. The more active compounds also
R D Franz
AAPS pharmSci, 3(2), E10-E10 (2001-12-14)
The changes in the physiochemical properties accompanying the substitution of a phosphonic acid group for a carboxylic acid group on various heterocyclic platforms was determined. A series of low molecular weight heterocyclic carboxylic and phosphonic acids was prepared, and the
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Global Trade Item Number

SKUGTIN
441236-10G04061836685409