CAS 745052-94-2
:Ethyl 4-(cyclopropylthio)-α-oxobenzeneacetate
Description:
Ethyl 4-(cyclopropylthio)-α-oxobenzeneacetate, identified by its CAS number 745052-94-2, is an organic compound characterized by its unique structure that includes an ethyl ester group, a ketone functionality, and a cyclopropylthio substituent. This compound typically exhibits a moderate to high level of lipophilicity due to the presence of the ethyl group and the aromatic ring, which can influence its solubility in organic solvents. The cyclopropylthio group introduces strain and reactivity, potentially affecting the compound's chemical behavior and reactivity in various reactions, such as nucleophilic substitutions or electrophilic additions. Ethyl 4-(cyclopropylthio)-α-oxobenzeneacetate may also display interesting biological activities, making it a candidate for further research in medicinal chemistry. Its synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation. Overall, this compound represents a fascinating example of how structural modifications can lead to diverse chemical properties and potential applications.
Formula:C13H14O3S
InChI:InChI=1S/C13H14O3S/c1-2-16-13(15)12(14)9-3-5-10(6-4-9)17-11-7-8-11/h3-6,11H,2,7-8H2,1H3
InChI key:InChIKey=WSHDLDNMLDZRHC-UHFFFAOYSA-N
SMILES:S(C1=CC=C(C(C(OCC)=O)=O)C=C1)C2CC2
Synonyms:- Ethyl 4-(cyclopropylthio)-α-oxobenzeneacetate
- Ethyl [4-(cyclopropylsulfanyl)phenyl]oxoacetate
- [4-(Cyclopropylsulfanyl)phenyl](oxo)acetic acid ethyl ester
- Benzeneacetic acid, 4-(cyclopropylthio)-α-oxo-, ethyl ester
- Ethyl 2-[4-(cyclopropylsulfanyl)phenyl]-2-oxoacetate
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