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CAS 871723-38-5

:

1,1-Dimethylethyl 5-chloro-1,3-dihydro-2H-isoindole-2-carboxylate

Description:
1,1-Dimethylethyl 5-chloro-1,3-dihydro-2H-isoindole-2-carboxylate, identified by its CAS number 871723-38-5, is a chemical compound that features a complex structure characteristic of isoindole derivatives. This substance typically exhibits a molecular framework that includes a chloro substituent and an ester functional group, which can influence its reactivity and solubility. The presence of the dimethyl group contributes to steric hindrance, potentially affecting its interactions with biological targets or other chemical species. Compounds of this nature may be of interest in medicinal chemistry due to their potential biological activities, including antimicrobial or anticancer properties. Additionally, the isoindole core is known for its versatility in organic synthesis, making it a valuable scaffold in drug development. The compound's physical properties, such as melting point, boiling point, and solubility, would depend on its specific molecular interactions and the presence of functional groups. Overall, 1,1-Dimethylethyl 5-chloro-1,3-dihydro-2H-isoindole-2-carboxylate represents a unique entity within the realm of organic compounds with potential applications in various fields.
Formula:C13H16ClNO2
InChI:InChI=1S/C13H16ClNO2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h4-6H,7-8H2,1-3H3
InChI key:InChIKey=JJFMSBCYYHKSBX-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC=2C(C1)=CC(Cl)=CC2
Synonyms:
  • 2H-Isoindole-2-carboxylic acid, 5-chloro-1,3-dihydro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5-chloro-1,3-dihydro-2H-isoindole-2-carboxylate
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