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CAS 887344-21-0

:

1-(1,1-Dimethylethyl) 3-[(3,4-dichlorophenyl)methyl]-1,3-piperidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) 3-[(3,4-dichlorophenyl)methyl]-1,3-piperidinedicarboxylate, with the CAS number 887344-21-0, is a chemical compound that belongs to the class of piperidine derivatives. This substance features a piperidine ring substituted with a tert-butyl group and a dichlorophenylmethyl moiety, contributing to its unique chemical properties. It is characterized by the presence of two carboxylate functional groups, which can influence its solubility and reactivity. The dichlorophenyl group may impart specific biological activities, making this compound of interest in medicinal chemistry and pharmacology. The presence of halogen atoms, such as chlorine, can enhance lipophilicity and affect the compound's interaction with biological targets. Additionally, the steric bulk of the tert-butyl group may influence the compound's conformation and overall stability. As with many synthetic organic compounds, its properties, including melting point, boiling point, and solubility, would need to be determined experimentally for practical applications. Safety data and handling precautions should also be considered due to potential toxicity associated with its structural components.
Formula:C18H23Cl2NO4
InChI:InChI=1S/C18H23Cl2NO4/c1-17(2,3)25-16(24)21-8-4-7-18(11-21,15(22)23)10-12-5-6-13(19)14(20)9-12/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,22,23)
InChI key:InChIKey=KKYVRPWWYUVUPJ-UHFFFAOYSA-N
SMILES:C(C1(C(O)=O)CN(C(OC(C)(C)C)=O)CCC1)C2=CC(Cl)=C(Cl)C=C2
Synonyms:
  • 1-(1,1-Dimethylethyl) 3-[(3,4-dichlorophenyl)methyl]-1,3-piperidinedicarboxylate
  • 1,3-Piperidinedicarboxylic acid, 3-[(3,4-dichlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester
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