137966-89-3

Upstream product

• 137966-85-9 (Mo(C₅H₅)(CO)2)2(HCCCHCH₂) 
• 437-17-2 tritylium hexafluorophosphate 

Downstream Products

• 137966-94-0 (Mo(C₅H₅)(CO)2)2(HCCHCHCH₂C(C₆H₅)3) 
• 137966-93-9 (Mo(C₅H₅)(CO)2)2(HCCCH₂CH₂C(C₆H₅)3) 
• 137966-95-1 (Mo(C₅H₅)(CO)2)2(HCCCHCHC(C₆H₅)3) 

Relevant academic research and scientific papers

Reaction of vinylacetylene with [Mo(η5-C5H5)(CO)2]2. Reactivity of [{Mo(η5-C5H5)(CO) 2}(μ-HC≡CCH=CH2)]. Crystal structures of [{Mo(η5-C5H5)(CO)2} 2(μ-η2 ...

Full title: Reaction of vinylacetylene with [Mo(η5-C5H5)(CO)2]2. Reactivity of [{Mo(η5-C5H5)(CO) 2}(μ-HC≡CCH=CH2)]. Crystal structures of [{Mo(η5-C5H5)(CO)2} 2(μ-η2,η3-HC≡CCHCH 3)][BF4] and of [[{Mo(η5-C5H5)(CO)2} 2]2-μ-(μ-HC≡CCH2CH 2)2]. The reaction of vinylacetylene with [Mo(η5-C5H5)(CO)2]2 affords the adduct [Mo(η5-C5H5)(CO)2} 2(μ-HC≡CCH=CH2)] (1). The electrophilic attack of HBF4 gives the ionic allylic complex [{Mo(η5-C5H5)-(CO)2} 2(μ-η2,η3-HC≡CCHCH 3)][BF4] (2). An unexpected reaction occurs with CPh3PF6 leading to [{MO(η5-C5H5)(CO)2} 2(μ-η2,η3-HC≡CCHCH 2CPh3)][PF6] (3). Complex 2 undergoes nucleophilic attack with NaBH4 and LiCH3 exclusively on the carbon atom bearing the methyl group, giving μ-alkyne complexes [{Mo(η5-C5H5)(CO)2} 2(μ-HC≡CCH2CH3)] (6) and [{Mo(η5-C5H5)(CO)2} 2(μ-HC≡CC(CH3)2)] (7), respectively. However, in the case of complex 3, the delocalization of the positive charge allows NaBH4 to react in two different ways to give the μ-alkyne species [{Mo(η5-C5H5)(CO)2} 2(μ-HC≡CCH2CH2CPh3)] (9) and allylic [{Mo(η5-C5H5)(CO)2} 2(μ-σ,η3-HC..-CH.. -CHCH2CPh3)] (10). The reduction of 1 with sodium amalgam leads to the formation of the σ-η3 allylic complex [{Mo(η5-C5H5)(CO)2} 2(μ-σ,η3-HC..-CH.. -CHCH3)] (5) and tetrametallic [[{Mo(η5-C5H5)(CO)2} 2]2-μ-(μ-HC≡CCH2CH 2)2] (4). Another dimerization occurs in the reaction of 2 with sodium amalgam, leading to [[{Mo(η5-C5H5)(CO)2} 2]2-μ-(μ-HC≡CCH(CH3)-)2] (8). This product exists as three isomers, the meso 8A (R*S*) and a racemic mixture of 8B (SS) and 8C (RR). The action of base (DBU) on 3 gives the μ-substituted vinylacetylene complex [{Mo(η5-C5H5)(CO)2} 2(μ-HC≡CCH= CHCPh3)] (11E). The structures of 2 and 4 have been solved by single-crystal X-ray diffraction methods. Crystallographic data [space group, a/A?, b/A?, c/A?, β/deg, Z, number of observed reflections, Rw]: for 2, P21/n, 12.924 (7), 18.339 (18), 8.431 (6), 95.36 (5), 4, 2239, 0.0568; for 4, P21/n, 8.308 (6), 14.457 (4), 14.664 (9), 102.97 (3), 2, 1558, 0.046.