7-ISOPROPYLISATIN Chemical Properties

Melting point:

196-198 °C(Solv: dichloromethane (75-09-2))

Density 

1.200±0.06 g/cm3(Predicted)

pka

9.81±0.20(Predicted)

InChI

InChI=1S/C11H11NO2/c1-6(2)7-4-3-5-8-9(7)12-11(14)10(8)13/h3-6H,1-2H3,(H,12,13,14)

InChIKey

XWJSENVAAAAHBN-UHFFFAOYSA-N

SMILES

N1C2=C(C=CC=C2C(C)C)C(=O)C1=O

7-ISOPROPYLISATIN Usage And Synthesis

Uses

7-Isopropyl-1H-indole-2,3-dione is used in the synthetic preparation of 2-aminoquinazoline derivatives as PLK1 inhibitor useful in treatment of various diseases.

Synthesis

To concentrated sulfuric acid at 80° C. was added 2-hydroxyimino-N-(2-isopropyl-phenyl)-acetamide in several small portions over 10 minutes. After addition it was heated at 80° C. for 30 minutes., then poured into ice. Filtration, washing with water, and drying under vacuum over P2O5 provided 2.974 g (84%) of 7-Isopropyl-1H-indole-2,3-dione as a solid. 

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