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CAS 1245646-75-6

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1,1-Dimethylethyl 4-(5-iodo-1(2H)-pyridazinyl)-1-piperidinecarboxylate

Description:
1,1-Dimethylethyl 4-(5-iodo-1(2H)-pyridazinyl)-1-piperidinecarboxylate, identified by its CAS number 1245646-75-6, is a chemical compound that features a complex structure incorporating a piperidine ring and a pyridazine moiety. The presence of the 5-iodo substituent on the pyridazine ring suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with halogenated heterocycles. The dimethyl group attached to the piperidine enhances the steric bulk, which can influence the compound's interaction with biological targets. This compound is likely to exhibit specific solubility characteristics, stability under various conditions, and reactivity patterns typical of ester functionalities. Its synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation. Overall, the unique combination of functional groups and structural features positions this compound as a candidate for further investigation in drug discovery and development.
Formula:C14H22IN3O2
InChI:InChI=1S/C14H22IN3O2/c1-14(2,3)20-13(19)17-8-5-12(6-9-17)18-10-11(15)4-7-16-18/h4,7,10,12,16H,5-6,8-9H2,1-3H3
InChI key:InChIKey=LQHGDQWPWOCYLF-UHFFFAOYSA-N
SMILES:IC1=CN(C2CCN(C(OC(C)(C)C)=O)CC2)NC=C1
Synonyms:
  • 1-Piperidinecarboxylic acid, 4-(5-iodo-1(2H)-pyridazinyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(5-iodo-1(2H)-pyridazinyl)-1-piperidinecarboxylate
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