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CAS 138775-03-8

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1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate

Description:
1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate, with CAS number 138775-03-8, is a chemical compound characterized by its piperazine core, which is a six-membered ring containing two nitrogen atoms. This compound features multiple carboxylate groups, contributing to its potential as a chelating agent or in biological applications. The presence of a tert-butyl group (1,1-dimethylethyl) and a phenylmethyl group enhances its lipophilicity, which may influence its solubility and interaction with biological membranes. The stereochemistry indicated by (2S) suggests specific spatial arrangements that can affect the compound's reactivity and biological activity. Such compounds are often studied for their pharmacological properties, including potential roles in drug development or as intermediates in organic synthesis. Overall, the unique structural features of this compound may lead to diverse applications in medicinal chemistry and materials science.
Formula:C18H24N2O6
InChI:InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChI key:InChIKey=SREPAMKILVVDSP-AWEZNQCLSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)CN(C(OCC2=CC=CC=C2)=O)CC1
Synonyms:
  • (2S)-1-(Benzyloxycarbonyl)-2-carboxy-4-(benzyloxycarbonyl)piperazine
  • (2S)-4-[(Benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid
  • (S)-4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid
  • 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)-
  • 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (S)-
  • 1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate
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