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CAS 115729-52-7

:

Ethyl (αS,3S,8aS)-hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetate

Description:
Ethyl (αS,3S,8aS)-hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetate, with the CAS number 115729-52-7, is a complex organic compound characterized by its unique structural features, including a pyrrolo[1,2-a]pyrazine core. This compound contains multiple functional groups, such as dioxo and acetate moieties, which contribute to its chemical reactivity and potential biological activity. The presence of stereocenters indicates that it may exhibit stereoisomerism, which can influence its pharmacological properties. Ethyl esters are often associated with improved solubility and bioavailability, making this compound of interest in medicinal chemistry. Its intricate structure suggests potential applications in drug development, particularly in targeting specific biological pathways. However, detailed studies on its physical properties, such as solubility, melting point, and stability, as well as its biological activity, would be necessary to fully understand its potential uses and implications in various fields, including pharmaceuticals and agrochemicals.
Formula:C20H26N2O4
InChI:InChI=1S/C20H26N2O4/c1-3-26-20(25)17(12-11-15-8-5-4-6-9-15)22-14(2)18(23)21-13-7-10-16(21)19(22)24/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3/t14-,16-,17-/m0/s1
InChI key:InChIKey=BMZHNHHJUGMMLV-XIRDDKMYSA-N
SMILES:[C@@H](C(OCC)=O)(CCC1=CC=CC=C1)N2C(=O)[C@]3(N(C(=O)[C@@H]2C)CCC3)[H]
Synonyms:
  • Pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid, hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)-, ethyl ester, (αS,3S,8aS)-
  • Pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid, hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)-, ethyl ester, [3S-[2(R*),3α,8aβ]]-
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  • Ethyl (αS,3S,8aS)-hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetate
  • 2-[1,4-Dioxo-3-methyloctahydropyrrolo[1,2-a]pyrazine-2-yl]-4-phenylbutyric acid ethyl ester
  • 4-Phenyl-2-[(1,2,3,4,6,7,8,8a-octahydro-3-methyl-1,4-dioxopyrrolo[1,2-a]pyrazin)-2-yl]butanoic acid ethyl ester
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