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CAS 951889-37-5

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Ethyl 4-(1,1-dimethylethyl)-2,6-dimethyl-γ-oxobenzenebutanoate

Description:
Ethyl 4-(1,1-dimethylethyl)-2,6-dimethyl-γ-oxobenzenebutanoate, identified by its CAS number 951889-37-5, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group and a substituted aromatic ring. This compound features a γ-oxobenzenebutanoate moiety, indicating the presence of a ketone group adjacent to the aromatic system, which can influence its reactivity and stability. The presence of multiple alkyl groups, such as the tert-butyl and dimethyl substituents, suggests that the compound may exhibit hydrophobic properties, potentially affecting its solubility in various solvents. Additionally, the steric hindrance introduced by these bulky groups may impact its interactions with biological systems or other chemical species. Ethyl 4-(1,1-dimethylethyl)-2,6-dimethyl-γ-oxobenzenebutanoate may have applications in organic synthesis or as an intermediate in the production of more complex molecules, although specific applications would depend on further research into its reactivity and properties.
Formula:C18H26O3
InChI:InChI=1S/C18H26O3/c1-7-21-16(20)9-8-15(19)17-12(2)10-14(11-13(17)3)18(4,5)6/h10-11H,7-9H2,1-6H3
InChI key:InChIKey=YNJDQTBUEHGYSS-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C
Synonyms:
  • Ethyl 4-(1,1-dimethylethyl)-2,6-dimethyl-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 4-(1,1-dimethylethyl)-2,6-dimethyl-γ-oxo-, ethyl ester
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