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CAS 898758-38-8

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Ethyl 2,5-dimethoxy-η-oxobenzeneoctanoate

Description:
Ethyl 2,5-dimethoxy-η-oxobenzeneoctanoate, identified by its CAS number 898758-38-8, is a chemical compound that belongs to the class of esters. It features a complex structure characterized by the presence of an ethyl group, two methoxy groups, and a benzene ring with an oxo functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the octanoate moiety suggests that it may exhibit hydrophobic properties, making it soluble in organic solvents while being less soluble in water. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and ability to serve as a building block in the synthesis of more complex molecules. Additionally, the methoxy groups can influence the electronic properties of the molecule, potentially affecting its reactivity and interactions with biological targets. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact of this compound would need to be assessed in detail.
Formula:C18H26O5
InChI:InChI=1S/C18H26O5/c1-4-23-18(20)10-8-6-5-7-9-16(19)15-13-14(21-2)11-12-17(15)22-3/h11-13H,4-10H2,1-3H3
InChI key:InChIKey=XRNXATVMOSETEW-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=C(OC)C=CC(OC)=C1
Synonyms:
  • Ethyl 2,5-dimethoxy-η-oxobenzeneoctanoate
  • Benzeneoctanoic acid, 2,5-dimethoxy-η-oxo-, ethyl ester
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