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Key Documents

559059

Sigma-Aldrich

(4-三氟甲基苯甲酰基)乙酸乙酯

同義詞:

3-Oxo-3-(4-trifluoromethylphenyl)propanoic acid ethyl ester, Ethyl 2-4-(Trifluoromethyl)benzoylacetate, Ethyl 3-(4-trifluoromethylphenyl)-3-oxopropionate, Ethyl 3-oxo-3-4-(trifluoromethyl)phenylpropanoate

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About This Item

線性公式:
CF3C6H4COCH2CO2C2H5
CAS號碼:
分子量::
260.21
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

折射率

n20/D 1.4880 (lit.)

bp

248-249 °C (lit.)

密度

1.270 g/mL at 25 °C (lit.)

SMILES 字串

CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F

InChI

1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3

InChI 密鑰

HVHVSJPSNQIPEM-UHFFFAOYSA-N

應用

Ethyl (4-trifluoromethylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-trifluoromethyl)phenylquinoxaline 1,4-dioxide and N-cyclohexyl-4-methoxy-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine.
Reactant for:
  • In-catalyzed cycloisomerization
  • Chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water
  • Guanidine-catalyzed enantioselective Michael reactions
  • Transesterification reactions
  • Intermolecular coupling reactions

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

Eyeshields, Gloves


分析證明 (COA)

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In vitro and in vivo pharmacological characterization of SSD114, a novel GABAB positive allosteric modulator.
Porcu A, et al.
European Journal of Pharmacology, 791, 115-123 (2016)
Comparative Use of Solvent-free KF-Al2O3 and K2CO3 in Acetone in the Synthesis of Quinoxaline 1, 4-Dioxide Derivatives Designed as Antimalarial Drug Candidates.
Lima LM, et al.
Journal of Heterocyclic Chemistry, 42(7), 1381-1385 (2005)

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