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CAS 65673-63-4

:

rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate

Description:
Rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate, with CAS number 65673-63-4, is a chemical compound that belongs to the class of benzopyran derivatives. This substance features a complex molecular structure characterized by the presence of a benzopyran core, which is a fused ring system containing both aromatic and heterocyclic components. The compound is notable for its functional groups, including an amino group, a bromo substituent, and a cyano group, which contribute to its reactivity and potential biological activity. The ethoxycarbonyl group enhances its solubility and may influence its pharmacokinetic properties. The stereochemistry indicated by the (αR,4R) configuration suggests specific spatial arrangements of atoms that can affect the compound's interactions with biological targets. Overall, this compound may exhibit interesting properties for research in medicinal chemistry, particularly in the development of pharmaceuticals, due to its diverse functional groups and structural complexity.
Formula:C17H17BrN2O5
InChI:InChI=1/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3/t11-,13-/s2
InChI key:InChIKey=SXJDCULZDFWMJC-BJBPJPDTNA-N
SMILES:[C@H](C(OCC)=O)(C#N)[C@@]1(C=2C(OC(N)=C1C(OCC)=O)=CC=C(Br)C2)[H]
Synonyms:
  • 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-, ethyl ester
  • 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-, ethyl ester, (αR,4R)-rel-
  • H 8787
  • Ha 14-1
  • Ha14-1
  • ethyl (4R)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate
  • ethyl (4R)-2-amino-6-bromo-4-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate
  • ethyl (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate
  • ethyl (4S)-2-amino-6-bromo-4-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate
  • rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate
  • Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
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