Methyl (19E)-2,16,19,20-Tetradehydrocuran-17-Oate
[CAS# 639-43-0]

Identification

• Name: Methyl (19E)-2,16,19,20-Tetradehydrocuran-17-Oate
• Synonyms: cur-19-en-17-oic acid, 2,16-didehydro-, methyl ester, (15β,19E)-; methyl (15β,19E)-2,16-didehydrocur-19-en-17-oate; methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
• Molecular Formula: C₂₀H₂₂N₂O₂
• Molecular Weight: 322.40
• CAS Registry Number: 639-43-0
• SMILES: C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC
• InChI: 1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20+/m0/s1
• InChIKey: AGZMFTKKLPHOMT-DUJTVWLASA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 480.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 244.5±28.7°C (Cal.)

References

• (1): Jones Spencer B., Simmons Bryon, Mastracchio Anthony, MacMillan David W. C.. Collective synthesis of natural products by means of organocascade catalysis, Nature, 2011