7-Diethylamino-N-[2-(2,5-Dioxopyrrol-1-Yl)Ethyl]-2-Oxochromene-3-Carboxamide
[CAS# 156571-46-9]

Identification

• Name: 7-Diethylamino-N-[2-(2,5-Dioxopyrrol-1-Yl)Ethyl]-2-Oxochromene-3-Carboxamide
• Synonyms: 7-Diethylamino-N-[2-(2,5-Dioxopyrrol-1-Yl)Ethyl]-2-Oxo-Chromene-3-Carboxamide; 7-Diethylamino-N-[2-(2,5-Dioxo-1-Pyrrolyl)Ethyl]-2-Oxo-3-Chromenecarboxamide; 7-Diethylamino-2-Keto-N-(2-Maleimidoethyl)Chromene-3-Carboxamide
• Molecular Formula: C₂₀H₂₁N₃O₅
• Molecular Weight: 383.40
• CAS Registry Number: 156571-46-9
• SMILES: C2=C1OC(=O)C(=CC1=CC=C2N(CC)CC)C(=O)NCCN3C(=O)C=CC3=O
• InChI: 1S/C20H21N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,26)
• InChIKey: IXQPRUQVJIJUEB-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 690.54°C at 760 mmHg (Cal.)
• Flash point: 371.425°C (Cal.)
• solubility: DMSO, DMF, Chloroform

References

• (1): Jeremiah W. Hanes, Debashree Chatterjee, Erika V. Soriano, Steven E. Ealick and Tadhg P. Begley. Construction of a thiamin sensor from the periplasmic thiamin binding protein, Chem. Commun., 2011, 47, 2273.