CAS 1354545-56-4

4-Chloro-5,6,8,9-tetrahydro-1-methoxy-2-nitro-7H-benzocyclohepten-7-one

Description:

4-Chloro-5,6,8,9-tetrahydro-1-methoxy-2-nitro-7H-benzocyclohepten-7-one is a complex organic compound characterized by its unique bicyclic structure, which includes a benzocycloheptene framework. This compound features several functional groups, including a chloro substituent, a methoxy group, and a nitro group, contributing to its chemical reactivity and potential applications in various fields, such as medicinal chemistry. The presence of the nitro group typically enhances the compound's electrophilicity, while the methoxy group can influence its solubility and polarity. The tetrahydro configuration indicates that the compound has multiple saturated carbon atoms, which may affect its stability and interaction with biological systems. Additionally, the compound's specific stereochemistry and substituent positions can significantly impact its biological activity and pharmacological properties. Overall, 4-Chloro-5,6,8,9-tetrahydro-1-methoxy-2-nitro-7H-benzocyclohepten-7-one represents a structurally intriguing molecule with potential utility in chemical synthesis and drug development.

Formula: C₁₂H₁₂ClNO₄

InChI: InChI=1S/C12H12ClNO4/c1-18-12-9-5-3-7(15)2-4-8(9)10(13)6-11(12)14(16)17/h6H,2-5H2,1H3

InChI key: InChIKey=IKKYWRVEGKAEMD-UHFFFAOYSA-N

SMILES: O(C)C1=C2C(=C(Cl)C=C1N(=O)=O)CCC(=O)CC2

Synonyms:

• 1-Chloro-4-methoxy-3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
• 4-Chloro-5,6,8,9-tetrahydro-1-methoxy-2-nitro-7H-benzocyclohepten-7-one
• 7H-Benzocyclohepten-7-one, 4-chloro-5,6,8,9-tetrahydro-1-methoxy-2-nitro-