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CAS 2105838-78-4

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1,4-Piperidinedicarboxylic acid, 4-methoxy-, 1-(1,1-dimethylethyl) ester, hydrate (1:1)

Description:
1,4-Piperidinedicarboxylic acid, 4-methoxy-, 1-(1,1-dimethylethyl) ester, hydrate (1:1) is a chemical compound characterized by its piperidine ring structure, which is a six-membered nitrogen-containing heterocycle. This compound features two carboxylic acid groups and a methoxy substituent, contributing to its potential as a versatile building block in organic synthesis. The presence of the tert-butyl ester group enhances its lipophilicity, making it more soluble in organic solvents. The hydrate form indicates that the compound can associate with water molecules, which may influence its solubility and stability. This compound may exhibit biological activity due to its structural features, making it of interest in medicinal chemistry. Its CAS number, 2105838-78-4, allows for precise identification in chemical databases. Overall, this compound's unique structure and functional groups suggest potential applications in pharmaceuticals and agrochemicals, although specific properties such as melting point, boiling point, and reactivity would require empirical data for comprehensive characterization.
Formula:C12H21NO5·H2O
InChI:InChI=1S/C12H21NO5.H2O/c1-11(2,3)18-10(16)13-7-5-12(17-4,6-8-13)9(14)15;/h5-8H2,1-4H3,(H,14,15);1H2
InChI key:InChIKey=QTWHZRBRZXUOSV-UHFFFAOYSA-N
SMILES:C(O)(=O)C1(OC)CCN(C(OC(C)(C)C)=O)CC1.O
Synonyms:
  • 1,4-Piperidinedicarboxylic acid, 4-methoxy-, 1-(1,1-dimethylethyl) ester, hydrate (1:1)
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