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441236

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

96%

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PLN 532.50

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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

Key Documents

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Product Name

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans, 96%

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+

SMILES string

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

InChI key

XNGGOXOLHQANRB-AATRIKPKSA-N

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

Quality Level

100

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1 of 4

This Item
401455218456374881
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans 96%

Sigma-Aldrich

441236

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

Ethyl 4,4,4-trifluoro-2-butynoate 97%

Sigma-Aldrich

401455

Ethyl 4,4,4-trifluoro-2-butynoate

Ethyl 3-methyl-2-oxobutyrate 97%

Sigma-Aldrich

218456

Ethyl 3-methyl-2-oxobutyrate

4-Chloro-3-(trifluoromethyl)phenyl isocyanate 98%

Sigma-Aldrich

374881

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

assay

96%

assay

97%

assay

97%

assay

98%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

80-82 °C/1 mmHg (lit.)

bp

96-98 °C (lit.)

bp

62 °C/11 mmHg (lit.)

bp

86-90 °C/14 mmHg (lit.)

density

1.235 g/mL at 25 °C (lit.)

density

1.162 g/mL at 25 °C (lit.)

density

0.989 g/mL at 25 °C (lit.)

density

-

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

storage temp.

-

form

liquid

form

liquid

form

-

form

-

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.[1]

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.[2]

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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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)
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
L Mosti et al.
Farmaco (Societa chimica italiana : 1989), 47(4), 427-437 (1992-04-01)
The synthesis of ethyl or methyl esters of 5-cyano-1,6-dihydro-6-oxo-3- pyridinecarboxylic acids carrying as 2-substituent a polar group such as CO2C2H5, (CH2)2CO2CH3, (CH2)3CO2C2H5, CH2OCH3, or CF3 group is described. Also 2-[5-cyano-1,6-dihydro-2-(1,1-dimethylethyl)-6-oxo-3-pyridyl]-2- oxoacetic acid and 2,5,6,8-tetrahydro-2,5-dioxo-1H-thiopyrano[3,4-b]pyridine-3-carbon itrile were prepared. Nearly all the
L Sansebastiano et al.
Farmaco (Societa chimica italiana : 1989), 48(3), 335-355 (1993-03-01)
The synthesis of ethyl or methyl 4-substituted or unsubstituted 2-methylthio-5-pyrimidinecarboxylates 3 a-i and 8 o mainly by reaction of ethyl or methyl 2-dimethylaminomethylene-3-oxoalkanoates with 2-methylisothiourea is described. Also some ethyl 2-substituted (NH2, CH3, C6H5) 4-trifluoromethyl-5-pyrimidinecarboxylates were prepared. Some of the
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
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