Ethyl 4-(1,3-Dioxoisoindol-2-Yl)-2-Methyl-3-Oxo-Pentanoate
[CAS# 53100-42-8]

Identification

• Name: Ethyl 4-(1,3-Dioxoisoindol-2-Yl)-2-Methyl-3-Oxo-Pentanoate
• Synonyms: Ethyl 4-(1,3-Dioxoisoindolin-2-Yl)-2-Methyl-3-Oxo-Pentanoate; 4-(1,3-Dioxo-2-Isoindolinyl)-2-Methyl-3-Oxopentanoic Acid Ethyl Ester; 4-(1,3-Diketoisoindolin-2-Yl)-3-Keto-2-Methyl-Valeric Acid Ethyl Ester
• Molecular Formula: C₁₆H₁₇NO₅
• Molecular Weight: 303.31
• CAS Registry Number: 53100-42-8
• SMILES: C1=CC2=C(C=C1)C(N(C2=O)C(C(C(C(=O)OCC)C)=O)C)=O
• InChI: 1S/C16H17NO5/c1-4-22-16(21)9(2)13(18)10(3)17-14(19)11-7-5-6-8-12(11)15(17)20/h5-10H,4H2,1-3H3
• InChIKey: PXUJMAWWBHGXFH-UHFFFAOYSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 420.136°C at 760 mmHg (Cal.)
• Flash point: 207.891°C (Cal.)