CAS 166978-49-0: Ethyl 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate

Description: Ethyl 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate, with the CAS number 166978-49-0, is a synthetic organic compound characterized by its complex structure, which includes a benzoate moiety and a tetrahydro-naphthalene derivative. This compound features an ethynyl group, contributing to its potential reactivity and applications in organic synthesis. The presence of the tetrahydro-5,5-dimethyl-8-oxo-naphthalene structure suggests that it may exhibit interesting biological activities, possibly related to its interactions with various biological targets. Ethyl esters, such as this compound, are often used in medicinal chemistry and can serve as intermediates in the synthesis of more complex molecules. The compound's solubility, stability, and reactivity will depend on its specific functional groups and overall molecular architecture. As with many organic compounds, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact. Further studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₂₃H₂₂O₃

InChI: InChI=1S/C23H22O3/c1-4-26-22(25)18-10-7-16(8-11-18)5-6-17-9-12-20-19(15-17)21(24)13-14-23(20,2)3/h7-12,15H,4,13-14H2,1-3H3

InChI key: InChIKey=HKLPOHJGESDTSC-UHFFFAOYSA-N

SMILES: O=C(OCC)C1=CC=C(C#CC2=CC=C3C(=C2)C(=O)CCC3(C)C)C=C1

Synonyms:

• Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl ester
• Benzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethyl ester
• Ethyl 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)benzoate
• Ethyl 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate

Benzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethyl ester

CAS: 166978-49-0

• Formula: C₂₃H₂₂O₃
• Color and Shape: Solid
• Molecular weight: 346.4190

4-[2-(5,6,7,8-Tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoic acid ethyl ester

CAS: 166978-49-0

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• Formula: C₂₃H₂₂O₃
• Purity: Min. 95%
• Molecular weight: 346.42 g/mol