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CAS 1421311-91-2

:

1,1-Dimethylethyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate

Description:
1,1-Dimethylethyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate, identified by its CAS number 1421311-91-2, is a chemical compound characterized by its complex bicyclic structure, which incorporates both pyridine and pyrimidine rings. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of a chlorine atom introduces additional polarity, which may influence its interactions with other molecules. The dimethyl group attached to the carbon atom enhances steric hindrance, potentially affecting its biological activity and binding affinity in various chemical environments. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for the development of pharmaceuticals or agrochemicals. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its properties would be further elucidated through spectroscopic methods such as NMR and mass spectrometry. Overall, this compound represents a unique scaffold that could be explored for various applications in chemical research.
Formula:C12H16ClN3O2
InChI:InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-6-4-5-8-9(16)7-14-10(13)15-8/h7H,4-6H2,1-3H3
InChI key:InChIKey=NIVWSHYBKCXEMR-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(CCC1)=NC(Cl)=NC2
Synonyms:
  • 1,1-Dimethylethyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate
  • Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester
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