1-[(3S,4R,5S)-4,5-Dimethyl-2-Oxooxolan-3-Yl]-5-(Hydroxymethyl)Pyrrole-2-Carbaldehyde
[CAS# 105708-56-3]

Identification

• Name: 1-[(3S,4R,5S)-4,5-Dimethyl-2-Oxooxolan-3-Yl]-5-(Hydroxymethyl)Pyrrole-2-Carbaldehyde
• Synonyms: 1-[(3S,4R,5S)-4,5-Dimethyl-2-Oxo-Tetrahydrofuran-3-Yl]-5-(Hydroxymethyl)Pyrrole-2-Carbaldehyde; 1-[(3S,4R,5S)-4,5-Dimethyl-2-Oxo-3-Tetrahydrofuranyl]-5-(Hydroxymethyl)-2-Pyrrolecarboxaldehyde; 1-[(3S,4R,5S)-2-Keto-4,5-Dimethyl-Tetrahydrofuran-3-Yl]-5-Methylol-Pyrrole-2-Carbaldehyde
• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.25
• CAS Registry Number: 105708-56-3
• SMILES: [C@@H]2([N]1C(=CC=C1CO)C=O)C(O[C@H]([C@@H]2C)C)=O
• InChI: 1S/C12H15NO4/c1-7-8(2)17-12(16)11(7)13-9(5-14)3-4-10(13)6-15/h3-5,7-8,11,15H,6H2,1-2H3/t7-,8-,11-/m0/s1
• InChIKey: SBDVNGVBUIUJOY-LAEOZQHASA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 488.311°C at 760 mmHg (Cal.)
• Flash point: 249.122°C (Cal.)