4-(2-Phthalimidoethoxy)acetoacetic Acid Ethyl Ester

• CAT Number: R015223
• CAS Number: 88150-75-8
• Molecular Formula: C16H17NO6
• Molecular Weight: 319.313
• Purity: ≥95%
• Synonyms: Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
• Storage: -20°C
• IUPAC Name: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate
• InChI: InChI=1S/C16H17NO6/c1-2-23-14(19)9-11(18)10-22-8-7-17-15(20)12-5-3-4-6-13(12)16(17)21/h3-6H,2,7-10H2,1H3
• InChIKey: RIGKLAOKQFKWNN-UHFFFAOYSA-N
• SMILES: CCOC(=O)CC(=O)COCCN1C(=O)C2=CC=CC=C2C1=O

Reference

[1]. Liu, H.C. and Feng, Y.Q., 2005.
3-Ethyl 5-methyl 4-(2-chlorophenyl)-6-methyl-2-[(2-phthalimidoethoxy) methyl]-1, 4-dihydropyridine-3, 5-dicarboxylate diethyl ether hemisolvate.
The title compound, C28H27ClN2O7·0.5C4H10O, was synthesized from eth­yl 3-amino-4-[2-(phthalimido)eth­oxy]crotonate and meth­yl 2-(2-chloro­benzyl­idene)acetoacetate by the Hantzsch reaction. The dihydro­pyridine ring is not planar, but adopts a boat conformation. The dihedral angle between the phthalimide and 2-chloro­phen­yl ring planes is 66.0 (3)°.
Acta Crystallographica Section E: Structure Reports Online, 61(9), pp.o3006-o3007.