A crystal structure of dimerized 1,3-diisopropyl carbodiimide (CDI) has been obtained and its synthesis through a reaction of CDI with aluminum chloride (AlCl 3) has been studied. It possesses space group P2 1/c, with a = 9.352(5), b = 7.956(4), c = 11.405(6) Å and β = 112.465(5)°. It has been observed that this reaction is catalytic with respect to AlCl 3. Kinetic studies of the dimer show that its decomposition into CDI is first order with respect to the dimer. The reactivity of the dimer with metals has been investigated through reactions with methyl lithium and alane. The thermal stability of the dimer has been investigated by thermal gravimetric analysis and differential scanning calorimetry.

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Journal of Chemical Crystallography
Department of Chemistry

Gordon, P.G. (Peter George), Yap, G.P.A. (Glenn P. A.), & Barry, S.T. (2011). Crystal structure of dimerized 1,3-diisopropyl carbodiimide. Journal of Chemical Crystallography, 41(3), 375–378. doi:10.1007/s10870-010-9892-6