Isoretronecanol
[CAS# 526-63-6]

Identification

• Name: Isoretronecanol
• Synonyms: [(1S,8S)-Pyrrolizidin-1-Yl]Methanol; 1H-Pyrrolizine-1-Methanol, Hexahydro-, (1S-Trans)-; Isoretronecanol
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.21
• CAS Registry Number: 526-63-6
• SMILES: [C@@H]12N(CC[C@@H]1CO)CCC2
• InChI: 1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1
• InChIKey: LOFDEIYZIAVXHE-SFYZADRCSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 201.551°C at 760 mmHg (Cal.)
• Flash point: 81.109°C (Cal.)

References

• (1): Knight J. Synthesis of the alkaloids (−)-heliotridane and (−)-isoretronecanol via Ï€-allyltricarbonyliron lactam complexes., Tetrahedron Letters, 1991