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

CAS Registry Number®

65673-63-4

CAS Name

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

Molecular Formula

C17H17BrN2O5

Molecular Mass

409.23

Cite this Page

rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65673-63-4 (retrieved 2024-11-27) (CAS RN: 65673-63-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    107-108 °C

Source(s)

Other Names and Identifiers

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

InChIKey

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]

Canonical SMILES

N#CC(C(=O)OCC)C1C2=CC(Br)=CC=C2OC(N)=C1C(=O)OCC

Other Names for this Substance

  • 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-, ethyl ester, (αR,4R)-rel-
  • rel-Ethyl (αR,4R)-2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetate
  • HA 14-1
  • H 8787

Deleted or Replaced CAS Registry Numbers

445291-24-7

CAS INSIGHTSTM
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