4,6-Dichloro-3-[(E)-3-Oxo-3-(Phenylamino)Prop-1-Enyl]-1H-Indole-2-Carboxylic Acid
[CAS# 153436-22-7]

Identification

• Name: 4,6-Dichloro-3-[(E)-3-Oxo-3-(Phenylamino)Prop-1-Enyl]-1H-Indole-2-Carboxylic Acid
• Synonyms: 4,6-Dichloro-3-[(E)-3-Keto-3-(Phenylamino)Prop-1-Enyl]-1H-Indole-2-Carboxylic Acid; 1H-Indole-2-Carboxylic Acid, 4,6-Dichloro-3-((1E)-3-Oxo-3-(Phenylamino)-1-Propenyl)-; 1H-Indole-2-Carboxylic Acid, 4,6-Dichloro-3-(3-Oxo-3-(Phenylamino)-1-Propenyl)-, (E)-
• Molecular Formula: C₁₈H₁₂Cl₂N₂O₃
• Molecular Weight: 375.21
• CAS Registry Number: 153436-22-7
• SMILES: C2=C1[NH]C(=C(C1=C(Cl)C=C2Cl)\C=C\C(=O)NC3=CC=CC=C3)C(=O)O
• InChI: 1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+
• InChIKey: WZBNEZWCNKUOSM-VOTSOKGWSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Boiling point: 701.124°C at 760 mmHg (Cal.)
• Flash point: 377.826°C (Cal.)

References

• (1): Di Fabio Romano, Capelli Anna M., Conti Nadia, Cugola Alfredo, Donati Daniele, Feriani Aldo, Gastaldi Paola, Gaviraghi Giovanni, Hewkin Cheryl T., Micheli Fabrizio, Missio Andrea, Mugnaini Manolo, Pecunioso Angelo, Quaglia Anna M., Ratti Emiliangelo, Rossi Luciana, Tedesco Giovanna, Trist David G., Reggiani Angelo. Substituted Indole-2-carboxylates asin VivoPotent Antagonists Acting as the Strychnine-Insensitive Glycine Binding Site, Journal of Medicinal Chemistry, 1997