Журнал "Макрогетероциклы"

Ivan S. Lonin,^a@ Evgeny S. Belyaev,^a Viktor A. Tafeenko,^b Vladimir V. Chernyshev,^a,b Elena V. Savinkina,^c Gelii V. Ponomarev,^d Oskar I. Koifman,^eand Aslan Yu. Tsivadze^a

^aA.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Science, 199071 Moscow, Russia

^bDepartment of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow, Russia

^cMoscow State University of Fine Chemical Technologies,119571 Moscow, Russia

^dOrekhovich Institute of Biomedical Chemistry, Russian Academy of Medical Sciences,119121 Moscow, Russia

^eResearch Institute of Macroheterocycles, Ivanovo State University of Chemistry and Technology, 153000 Ivanovo, Russia

^@Corresponding author E-mail: loninis@gmail.com

DOI: 10.6060/mhc150457l

Macroheterocycles 2015 8(4) 366-370

Three recently synthesized tetrapyrrole compounds: (E)-3²-bromopyropheophorbide a methyl ester (1) and its derivatives with p-conjugated acrylate (2) and phenyl (3) substituents are structurally characterized using X-ray diffraction along with 1D and 2D NMR spectroscopy. All compounds are crystallized in chiral space groups. The planar molecules form stacks extended in one direction. The ¹H and ¹³C signals were completely assigned using 2D {¹H,¹H} correlation spectroscopy (COSY), nuclear Overhauser effect spectroscopy (NOESY), {¹H,¹³C} heteronuclear single quantum coherence (HSQC), and heteronuclear multiple bond correlation (HMBC) experiments. The details of structure elucidation and signal assignment process are given using compound 2 as an example.