CAS 39716-02-4

Phenylmethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate

Description:

Phenylmethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate, identified by its CAS number 39716-02-4, is a chemical compound that belongs to the class of pyridazine derivatives. This substance features a complex bicyclic structure, which includes a pyridazine ring fused with a pyridine moiety, contributing to its unique chemical properties. The presence of a chloro substituent at the 3-position and a carboxylate group enhances its reactivity and potential biological activity. Typically, compounds of this nature may exhibit various pharmacological properties, making them of interest in medicinal chemistry. The phenylmethyl group adds lipophilicity, which can influence the compound's solubility and permeability in biological systems. Additionally, the structural characteristics suggest potential interactions with biological targets, which could be explored for therapeutic applications. However, specific data regarding its physical properties, such as melting point, solubility, and spectral characteristics, would require experimental determination or literature references for comprehensive understanding.

Formula: C₁₅H₁₄ClN₃O₂

InChI: InChI=1S/C15H14ClN3O2/c16-14-8-12-9-19(7-6-13(12)17-18-14)15(20)21-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2

InChI key: InChIKey=XODCTMQQFDRQDH-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2CC=3C(=NN=C(Cl)C3)CC2

Synonyms:

• Pyrido[4,3-c]pyridazine-6(5H)-carboxylic acid, 3-chloro-7,8-dihydro-, phenylmethyl ester
• 3-Chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid benzyl ester
• Phenylmethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate