N-Formyl-1,2-Dihydrorenierone
[CAS# 97581-08-3]

Identification

• Name: N-Formyl-1,2-Dihydrorenierone
• Synonyms: (Z)-2-Methylbut-2-Enoic Acid (2-Formyl-7-Methoxy-6-Methyl-5,8-Dioxo-1H-Isoquinolin-1-Yl)Methyl Ester; (Z)-2-Methylbut-2-Enoic Acid (2-Formyl-5,8-Diketo-7-Methoxy-6-Methyl-1H-Isoquinolin-1-Yl)Methyl Ester; (2-Methanoyl-7-Methoxy-6-Methyl-5,8-Dioxo-1H-Isoquin
• Molecular Formula: C₁₈H₁₉NO₆
• Molecular Weight: 345.35
• CAS Registry Number: 97581-08-3
• SMILES: C(C2C1=C(C(=O)C(=C(C1=O)OC)C)C=CN2C=O)OC(C(=C/C)\C)=O
• InChI: 1S/C18H19NO6/c1-5-10(2)18(23)25-8-13-14-12(6-7-19(13)9-20)15(21)11(3)17(24-4)16(14)22/h5-7,9,13H,8H2,1-4H3/b10-5-
• InChIKey: VRZJVUPPQWDFAC-YHYXMXQVSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 547.596°C at 760 mmHg (Cal.)
• Flash point: 284.976°C (Cal.)

References

• (1): McKee Tawnya C., Rabe Daniel, Bokesch Heidi R., Grkovic Tanja, Whitson Emily L., Diyabalanage Thushara, Van Wyk Albert W. W., Marcum Stephanie R., Gardella Roberta S., Gustafson Kirk R., Linehan W. Marston, McMahon James B., Bottaro Donald P.. Inhibition of Hypoxia Inducible Factor-2 Transcription: Isolation of Active Modulators from Marine Sponges, Journal of Natural Products, 2012