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441236

2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯（顺反异构体混合物）

Name: 2-(乙氧基亚甲基)-4,4,4-三氟-3-氧代丁酸乙酯（顺反异构体混合物）
Brand: ALDRICH

96%

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关于此项目

线性分子式:

CF₃COC(=CHOC₂H₅)CO₂C₂H₅

化学文摘社编号:

571-55-1

分子量:

240.18

NACRES:

NA.22

PubChem Substance ID:

24867645

UNSPSC Code:

12352100

MDL number:

MFCD02677683

Assay:

96%

Form:

liquid

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属性

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

说明

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.

存储类别

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

法规信息

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European Journal of Medicinal Chemistry, 28, 853-853 (1993)

Comparisons of pKa and log P values of some carboxylic and phosphonic acids: synthesis and measurement.

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

Synthesis and cardiotonic activity of 2-substituted 5-cyano-1,6-dihydro-6-oxo-3-pyridinecarboxylic acids and their methyl or ethyl esters.

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

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货号	GTIN
441236-10G	04061836685409