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Ethyl 2-phenethylacetoacetate

Ethyl 2-phenethylacetoacetate structure

Ethyl 2-phenethylacetoacetate 

structure
  • CAS No:

    5337-63-3

  • Formula:

    C14H18O3

  • Chemical Name:

    Ethyl 2-phenethylacetoacetate

  • Synonyms:

    Ethyl 2-phenethylacetoacetate;Ethyl 3-oxo-2-(2-phenylethyl)butanoate;2-PHENETHYLACETOACETIC ACID, ETHYL ESTER;3-keto-2-(2-phenylethyl)butyric acid ethyl ester;3-oxo-2-(2-phenylethyl)butanoic acid ethyl ester;Ethyl 2-Acetyl-4-phenylbutanoate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Ethyl 2-phenethylacetoacetate Basic Attributes

234.29092

234.12600

25336|812

DTXSID20277090

2918300090

Characteristics

43.4

2.7

1.054g/cm3

348.1°C at 760 mmHg

151.8ºC

1.499

Ethyl 2-phenethylacetoacetate Use and Manufacturing

Reference Example 3 Ethyl acetoacetate (17.15 g, 0.13 mmol) was added dropwise to a stirred solution of sodium ethylate (prepared by dissolution of 2.8 g of sodium in 60 mL of dry ethanol). The mixture was warmed at 60°C for 30 min. After cooling, phenethylbromide (23.5 g, 0.115 mol) was added dropwise over 1 h and the mixture was then refluxed for 15 h. After cooling, the solvent was removed in vacuo and the residue was taken of with H

Computed Properties

Molecular Weight:234.29
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:234.125594432
Monoisotopic Mass:234.125594432
Topological Polar Surface Area:43.4
Heavy Atom Count:17
Complexity:254
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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