108786-77-2Relevant academic research and scientific papers
CYCLIZATION OF PHENYLPROPIOLIC ACID ON TITANOCENE. SYNTHESIS AND MOLECULAR STRUCTURE OF DI-η5-CYCLOPENTADIENYL(CINNAMYLATO-C3,O)TITANIUM/PHENYLPROPIOLIC ACID (1/1), A NOVEL TITANACYCLE, SYNTHESIS OF DICYCLOPENTADIENYLBIS(PHENYLPROPIOLATO)TITANIUM
Samuel, E.,Atwood, Jerry L.,Hunter, William E.
, p. 325 - 332 (1986)
Dimethyltitanocene reacts with phenylpropiolic acid under hydrogen and with the assistance of light to yield the dark red titanium(IV) compound 5-C5H5)2C6H5C=CH-COO>*C6H5CCCOOH>.X-ray structure analysis showed the unit cell to be composed of a titanocene metallacycle in which titanium is η5-bonded to two cyclopentadienyl rings and to one carbon and one oxygen atom in a 5-membered metallacycle , the whole molecule being in a 1/1 hydrogen bonded association with phenylpropionic acid.The complex crystallizes in the monoclinic space group P21/c with unit cell paramaters a 12.435(4), b 13.046(4), c 14.326(5) Angstroem, β 92.50(4) deg, and Dc 1.34 g cm-3 for Z=4.Least-squares refinement based on 1812 independent observed reflections led to a final R value of 0.079.Reaction of dimethyltitanocene with phenylpropiolic acid in toluene gives the compound 5-C5H5)2Ti(OOC-CC-C6H5)2> as an air stable orange crystalline solid.
