CAS 874-44-2

rel-(1R,4R,5R)-5-Nitrobicyclo[2.2.1]hept-2-ene

Description:

Rel-(1R,4R,5R)-5-Nitrobicyclo[2.2.1]hept-2-ene is a bicyclic organic compound characterized by its unique bicyclo[2.2.1]heptene structure, which consists of a seven-membered ring with two double bonds and a nitro group (-NO2) attached to one of the carbon atoms. This compound exhibits chirality due to the presence of multiple stereocenters, specifically at the 1, 4, and 5 positions, leading to its designation as "rel" for relative configuration. The nitro group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nitration and reduction processes. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure and functional groups can influence its physical properties, such as melting point and boiling point, as well as its chemical behavior in synthetic applications. Overall, rel-(1R,4R,5R)-5-Nitrobicyclo[2.2.1]hept-2-ene is of interest in organic synthesis and may have applications in pharmaceuticals or materials science.

Formula: C₇H₉NO₂

InChI: InChI=1/C7H9NO2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7-/s2

InChI key: InChIKey=DXTVIYLGTPEMKI-HNBBVXEKNA-N

SMILES: N(=O)(=O)[C@@H]1[C@]2(C[C@@](C1)(C=C2)[H])[H]

Synonyms:

• rel-(1R,4R,5R)-5-Nitrobicyclo[2.2.1]hept-2-ene
• 2-Norbornene, 5-nitro-, endo-
• Bicyclo[2.2.1]hept-2-ene, 5-nitro-, endo-
• Bicyclo[2.2.1]hept-2-ene, 5-nitro-, (1R,4R,5R)-rel-
• 5-endo-Nitrobicyclo[2.2.1]hept-2-ene