Allyl (2S,4S)-4-(Acetylsulfanyl)-2-(Hydroxymethyl)-1-Pyrrolidinecarboxylate
[CAS# 136140-32-4]

Identification

• Name: Allyl (2S,4S)-4-(Acetylsulfanyl)-2-(Hydroxymethyl)-1-Pyrrolidinecarboxylate
• Synonyms: "3,4'-Dihydroxy-3',5'-dimethoxypropiophenone"; 1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)-; 1-Pyrrolidinecarboxylic acid,4-(acetylthio)-2-(hydroxymethyl)-,2-propen-1-yl ester,(2S,4S)-
• Molecular Formula: C₁₁H₁₇NO₄S
• Molecular Weight: 259.32
• CAS Registry Number: 136140-32-4
• SMILES: O=C(OCC=C)N1C[C@@H](SC(C)=O)C[C@H]1CO
• InChI: 1S/C11H17NO4S/c1-3-4-16-11(15)12-6-10(17-8(2)14)5-9(12)7-13/h3,9-10,13H,1,4-7H2,2H3/t9-,10-/m0/s1
• InChIKey: KYXFEVCYBUTEBV-UWVGGRQHSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 387.756°C at 760 mmHg (Cal.)
• Flash point: 188.308°C (Cal.)
• Refractive index: 1.552 (Cal.)