tert-butyl (2S)-2-(1,3-dioxoisoindolin-2-yl)oxy-3-phenyl-propanoate
[CAS# 627079-32-7]

Identification

• Name: tert-butyl (2S)-2-(1,3-dioxoisoindolin-2-yl)oxy-3-phenyl-propanoate
• Synonyms: Benzenepropanoic acid,¦Á-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-,1,1-dimethylethyl ester,(¦ÁS)-; Benzenepropanoic acid,a-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester, (S)-
• Molecular Formula: C₂₁H₂₁NO₅
• Molecular Weight: 367.39
• CAS Registry Number: 627079-32-7
• SMILES: CC(C)(C)OC(=O)[C@H](Cc1ccccc1)ON2C(=O)c3ccccc3C2=O
• InChI: 1S/C21H21NO5/c1-21(2,3)26-20(25)17(13-14-9-5-4-6-10-14)27-22-18(23)15-11-7-8-12-16(15)19(22)24/h4-12,17H,13H2,1-3H3/t17-/m0/s1
• InChIKey: SPIKPMRNIFSZOL-KRWDZBQOSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 506.346°C at 760 mmHg (Cal.)
• Flash point: 260.029°C (Cal.)
• Refractive index: 1.601 (Cal.)