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441236

Sigma-Aldrich

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

96%

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About This Item

Formula condensata:
CF3COC(=CHOC2H5)CO2C2H5
Numero CAS:
571-55-1
Peso molecolare:
240.18
Numero MDL:
MFCD02677683
Codice UNSPSC:
12352100
ID PubChem:
24867645
NACRES:
NA.22

Saggio

96%

Forma fisica

liquid

Indice di rifrazione

n20/D 1.429 (lit.)

P. eboll.

80-82 °C/1 mmHg (lit.)

Densità

1.235 g/mL at 25 °C (lit.)

Temperatura di conservazione

2-8°C

Stringa SMILE

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+
XNGGOXOLHQANRB-AATRIKPKSA-N

Categorie correlate

Descrizione generale

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.

Applicazioni

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.

Codice della classe di stoccaggio

10 - Combustible liquids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

219.2 °F - closed cup

Punto d’infiammabilità (°C)

104.00 °C - closed cup

Dispositivi di protezione individuale

Eyeshields, Gloves

Certificati d'analisi (COA)

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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)
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