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CAS 36600-72-3

:

2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester

Description:
2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester, with the CAS number 36600-72-3, is an organic compound characterized by its ester functional group and a ketone moiety. This compound features a 4-chlorobenzyl group, which contributes to its hydrophobic characteristics and potential biological activity. The presence of the ethyl ester group enhances its solubility in organic solvents, making it useful in various chemical reactions and applications. The structure includes a butanoic acid backbone, which is significant for its reactivity and potential as a precursor in synthetic chemistry. This compound may exhibit interesting pharmacological properties due to the presence of the chlorobenzyl substituent, which can influence its interaction with biological targets. Additionally, the compound's stability and reactivity can be affected by environmental factors such as pH and temperature. Overall, 2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester is a versatile compound with potential applications in medicinal chemistry and organic synthesis.
Formula:C13H15ClO3
InChI:InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3
InChI key:InChIKey=HQZNZKQSSZWNEB-UHFFFAOYSA-N
SMILES:C(CC1=CC=C(Cl)C=C1)(C(OCC)=O)C(C)=O
Synonyms:
  • 1-(Ethoxycarbonyl)-1-(p-chlorobenzyl)-2-propanone
  • 2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester
  • 2-(4-Chlorobenzyl)acetoacetic acid ethyl ester
  • Benzenepropanoic acid, alpha-acetyl-4-chloro-, ethyl ester
  • Benzenepropanoic acid, α-acetyl-4-chloro-, ethyl ester
  • Ethyl 2-(4-chlorobenzyl)-3-oxobutanoate
  • Ethyl 2-(4-chlorobenzyl)-3-oxobutanoate
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