2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid Chemical Properties

Boiling point:

369.6±27.0 °C(Predicted)

Density 

1.547±0.06 g/cm3(Predicted)

pka

4.32±0.11(Predicted)

InChI

InChI=1S/C12H15IO2/c1-4-8-5-6-9(7-10(8)13)12(2,3)11(14)15/h5-7H,4H2,1-3H3,(H,14,15)

InChIKey

RUVGXZCQYVEAKQ-UHFFFAOYSA-N

SMILES

C(O)(=O)C(C1=CC=C(CC)C(I)=C1)(C)C

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid Usage And Synthesis

Description

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid is a pharmaceutical intermediate compound used in the preparation of anti-tumour drugs such as alectinib, erlotinib and hydrochloric acid neritinib.

Uses

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid is an intermediate of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor capable of blocking the resistant gatekeeper mutant, which results in reduced cell growth.

Synthesis

2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid is prepared by reacting 4-Ethyl-α,α-dimethylbenzeneacetic acid with N-Iodosuccinimide in Acetic acid for 2h.