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CAS 438050-53-4

:

rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate

Description:
Rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate, with the CAS number 438050-53-4, is a chemical compound characterized by its piperazine core, which is a six-membered ring containing two nitrogen atoms. This compound features a chlorocarbonyl group, indicating the presence of a carbonyl group (C=O) bonded to a chlorine atom, which can enhance its reactivity and potential applications in organic synthesis. The presence of dimethyl groups at the 3 and 5 positions of the piperazine ring contributes to its steric properties and may influence its biological activity. The specific stereochemistry, denoted by the (3R,5S) configuration, suggests that the compound has distinct spatial arrangements that can affect its interactions with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could impart specific pharmacological properties. As with many synthetic compounds, its stability, solubility, and reactivity would depend on the surrounding conditions and the presence of other functional groups.
Formula:C12H21ClN2O3
InChI:InChI=1/C12H21ClN2O3/c1-8-6-14(11(17)18-12(3,4)5)7-9(2)15(8)10(13)16/h8-9H,6-7H2,1-5H3/t8-,9+
InChI key:InChIKey=XQYJANFHPUJZBR-DTORHVGONA-N
SMILES:C(Cl)(=O)N1[C@H](C)CN(C(OC(C)(C)C)=O)C[C@@H]1C
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-(chlorocarbonyl)-3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-
  • rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate
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