Methyl (5E)-5-{Cyano[(2S)-2-(Methoxycarbonyl)-3,4-Dihydro-2H-Pyrrol-5-Yl]Methylene}-L-Prolinate
[CAS# 105251-49-8]

Identification

• Name: Methyl (5E)-5-{Cyano[(2S)-2-(Methoxycarbonyl)-3,4-Dihydro-2H-Pyrrol-5-Yl]Methylene}-L-Prolinate
• Synonyms: Dimethyl (1S,9S)-5-cyanosemicorrin-1,9-dicarboxylate; Methyl (5E)-5-{cyano[2-(methoxycarbonyl)-3,4-dihydro-2H-pyrrol-5-yl]methylene}prolinate; proline, 5-[cyano[3,4-dihydro-2-(methoxycarbonyl)-2H-pyrrol-5-yl]methylene]-, methyl ester, (5E)-
• Molecular Formula: C₁₄H₁₇N₃O₄
• Molecular Weight: 291.30
• CAS Registry Number: 105251-49-8
• SMILES: O=C(OC)[C@H]2N\C(=C(\C#N)/C1=N/[C@H](C(=O)OC)CC1)CC2
• InChI: 1S/C14H17N3O4/c1-20-13(18)11-5-3-9(16-11)8(7-15)10-4-6-12(17-10)14(19)21-2/h11-12,16H,3-6H2,1-2H3/b9-8-/t11-,12-/m0/s1
• InChIKey: HEMMGWQVSFWCAQ-RTVKQWPZSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 410.755°C at 760 mmHg (Cal.)
• Flash point: 202.218°C (Cal.)
• Refractive index: 1.613 (Cal.)