850088-46-9

Upstream product

• 850088-41-4 [Ru2(μ-CN(Me)(2,6-Me2C6H3))(μ-CO)(CO)(azido))(Cp)2] 
• 922-67-8 propynoic acid methyl ester 

Downstream Products

• 850088-49-2 [Ru2(μ-CN(Me)(2,6-Me2C6H3))(μ-CO)(CO)(N3(Me)C2(H)(CO2Me))(Cp)2][CF3SO3] 

Relevant academic research and scientific papers

Diiron and diruthenium aminocarbyne complexes containing pseudohalides: Stereochemistry and reactivity

Acetonitrile is easily displaced from [Fe2{μ-CN(Me)(R)}(μ- CO)(CO)(MeCN)(Cp)2][SO3CF3] (R = 2,6-Me 2C6H3 (Xyl) (1a); Me (1b)) upon stirring in THF at room temperature in the presence of [NBu4][SCN]. The resulting complexes trans-[Fe2{μ-CN(Me)(R)}(μ-CO)(CO)(NCS)(Cp) 2] (R = Xyl (trans-2a); Me (trans-2b)) are completely isomerised to cis-[Fe2{μ-CN(Me)(R)}(μ-CO)(CO)(NCS)(Cp)2] (R = Xyl (cis-2a); Me (cis-2b)) when heated at reflux temperature. Similarly, the complexes cis-[M2{μ-CN(Me)(R)}(μ-CO)(CO)(NCO)(Cp)2] (M = Fe, R = Me (4a); M = Ru, R = Xyl (4b); M = Ru, R = Me (4c)) and cis-[M 2{μ-CN(Me)(R)}(μ-CO)(CO)(N3)(Cp)2] (M = Fe, R = Xyl (5a); M = Fe, R = Me (5b); M = Ru, R = Xyl (5c)) can be obtained by heating at reflux temperature a THF solution of [M2{μ-CN(Me)(R)} (μ-CO)(CO)(MeCN)(Cp)2][SO3CF3] (M = Fe, R = Xyl (1a); M = Fe, Me (1b); M = Ru, R = Xyl (1c); M = Ru, R = Me (1d)) in the presence of NaNCO and NaN3, respectively. The reactions of 5 with MeO2CCCCO2Me, HCCCO2Me and (NC)(H)CC(H)(CN) afford the triazolato complexes [M2{μ-CN(Me)(R)}(μ-CO)(CO) {N3C2(CO2Me)2}(Cp)2] (M = Fe, R = Xyl (6a); M = Fe, R = Me (6b); M = Ru, R = Xyl (6c)), [M 2{μ-CN(Me)(R)}(μ- CO)(CO){N3C2(H)(CO 2Me)}(Cp)2] (M = Fe, R = Me (7a); M = Ru, R = Xyl (7b)) and [Fe2{μ-CN(Me)(Xyl)}(μ-CO)(CO){N3C 2(H)(CN)}(Cp)2] (8), respectively. The asymmetrically substituted triazolato complexes 7-8 are obtained as mixtures of N(1) and N(2) bonded isomers, whereas 6 exists only in the N(2) form. Methylation of 6-8 results in the formation of the triazole complexes [Fe2{μ-CN(Me) (Xyl)}(μ-CO)(CO){N3(Me)C2(CO2Me) 2}(Cp)2][CF3SO3] (9), [M 2{μ-CN(Me)(R)}(μ-CO)(CO){N3(Me)C2(H) (CO2Me)}(Cp)2][CF3SO3] (M = Fe, R = Me (10a); M = Ru, R = Xyl (10b)) and [Fe2{μ-CN(Me)(Xyl)}(μ-CO) (CO){N3(Me)C2(H)(CN)}(Cp)2][CF 3SO3], 11. The crystal structures of trans-2b, 4b ? CH2Cl2, 5a, 6b ? 0.5CH2Cl2 and 8 ? CH2Cl2 have been determined.