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CAS 1264036-68-1

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1,1-Dimethylethyl (3R)-3-[(2-chloro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl (3R)-3-[(2-chloro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate, identified by its CAS number 1264036-68-1, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a pyrimidine moiety. The presence of the 1,1-dimethylethyl group suggests that it has branched alkyl characteristics, which can influence its steric properties and reactivity. The chloro substituent on the pyrimidine ring may impart specific electronic effects, potentially enhancing its biological activity or reactivity. This compound is likely to exhibit moderate to high lipophilicity due to the bulky alkyl group, affecting its solubility in organic solvents versus water. Additionally, the presence of the carboxylate functional group indicates potential for hydrogen bonding and interaction with biological targets. Overall, this compound may be of interest in pharmaceutical applications, particularly in the development of new therapeutic agents, owing to its unique structural features and potential biological activity.
Formula:C13H18ClN3O3
InChI:InChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(18)17-7-5-9(8-17)19-10-4-6-15-11(14)16-10/h4,6,9H,5,7-8H2,1-3H3/t9-/m1/s1
InChI key:InChIKey=QTOBLDDNTYTCMA-SECBINFHSA-N
SMILES:C(OC(C)(C)C)(=O)N1C[C@H](OC2=NC(Cl)=NC=C2)CC1
Synonyms:
  • (R)-tert-Butyl 3-(2-chloropyrimidin-4-yloxy)pyrrolidine-1-carboxylate
  • 1,1-Dimethylethyl (3R)-3-[(2-chloro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate
  • (R)-3-(2-Chloropyrimidin-4-yloxy]pyrrolidine-1-carboxylic acid tert-butyl ester
  • 1-Pyrrolidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)-
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