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:
Molecular Weight:
240.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
Form:
liquid
Quality Segment
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
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