Offer 1,2,3,4,5-Pentamethylcyclopentadiene Wholesale Price

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Offer 1,2,3,4,5-Pentamethylcyclopentadiene Wholesale Price

Properties

Description&Application

Mechanism of the Diels-Alder reaction of paramagneticendohedral metallofullerene and 1,2,3,4,5-pentamethylcyclopentadiene has been studied. Three-step large-scale preparation of 1,2,3,4,5-pentamethylcyclopentadiene has been reported. Reaction of 1,2,3,4,5-pentamethylcyclopentadiene (HCp*) with actinide ions in gas phase has been investigated by laser ablation mass spectrometry. It undergoes radical cation catalyzed cycloaddition with electron rich allenes to form Diels-Alder product.

1,2,3,4,5-Pentamethylcyclopentadiene serves as a precursor to the ligand 1,2,3,4,5-pentamethylcyclopentadienyl. It is used as a growth modifier chemical, during metal organic chemical vapor deposition of iron from iron pentacarbonyl. It is used as a ligand in "one-pot" iridium-catalyzed transformation of alcohols to amides. Further, it acts as an electron mediator in the regeneration process of nicotinamide adenine dinucleotide. In addition to this, it undergoes radical cation catalyzed cycloaddition reaction with allenes to get Diels-Alder product.

Preparation Products

Thermal ellipsoid drawings of the molecular structures of compounds 1 and 2 are shown together in Fig. 1 for visual comparison. The molecular structure of compound 5 is shown in Fig. 2. All three compounds are l2-amide bridged dimers with g1 coordination of all four cyclopentadienyl ligands. Selected bond lengths and angles for the three structures are compared in Table 2. Crystallographic data are listed in Table 1. Although the geometries of the three structures are similar, there is a trend of increasing Ga–N, Ga–Ga, and Ga–Cipso bond lengths and increasing Ga–N–Ga and N–Ga– N bond angles from compound 1 to compound 2 to compound 5in response to the increasing substitution of the cyclopentadienylring and the amide ligand. Conversely, there is decreasing trend for the Cipso–Ga–Cipso angles to accommodate the increasing N– Ga–N bond angles. A thermal ellipsoid drawing of the molecular structure of compound 4 is shown in Fig. 3. Selected bond lengths and angles are presented in Table 3. The compound is a trimer with l2 amide bridges. The geometry of the cyclic core is shown more clearly in Fig. 4. The six membered ring with alternating Ga and Natoms adopts a boat shape with all three chlorine ligands in axial positions, two on the same side of the ring and one on the opposite side. The more sterically demanding Cp⁄ ligands occupy equatorial positions. The Ga–Cl bonds ranging from 2.198 Å to 2.217 Å are signifificantly longer than the terminal Ga–Cl bonds in [Cl2Ga(l-Cl)]2 (2.06 Å) [23], [Cp⁄ Ga(l-Cl)Cl]2 (2.12 Å) [16], but comparable to those in [HClGa(l-N3)]4 (avg. 2.171 Å) [24], [MeClGa(l-N3)]4 (2.177 Å) [25], [Cl2Ga(l2-N(H)SiMe3)]2 (2.150 Å) [26], and [MeClGa(l2-N(H)SiMe3)]2 (2.212 Å) [27]. The Cp⁄ –Ga bonds are similar in length to those in compound 2. A side view of the cyclic core of 4 is shown in Fig. 4. The Ga–N–Ga angles (avg. 121.7 ) are significantly wider than the N–Ga–N angles (av. 104.3 ). The Ga–N bond lengths range from 1.944 Å to 1.984 Å (avg. 1.97) and fall within the values reported for cyclotrigallazane, [Ga(l2-NH2)]3 [28]. In the boat-shaped six-membered ring, Ga(1), N(3), N(2), and Ga(2) are coplanar (mean deviation from a plane: 0.0263 Å) and atoms N(1) and Ga(3) are bent out of the plane by 0.6155 Å and 0.8982 Å, respectively. In all previously reported compounds with a [Ga(l-NH2)]3 core, the six-membered rings adopt a different conformation: twisted sofa in [Me2Ga(l-NH2)]3 [29], chair in [H2Ga(l-NH2)]3 [30], or planar in [t Bu2Ga(l-NH2)]3 [31]. The conformation adopted in the solid state by 4 appears to be inflfluenced by both inter and intramolecular hydrogen bonding. As depicted in Fig. 4, a total of 3 intermolecular hydrogen bonds ranging from 2.47 to 2.80 Å were found between two molecules of 14. In addition, there is anintramolecular hydrogen bond between Cl(2) and N(1)H (2.81 Å)that probably has an important inflfluence on the boat conformation.

 

Crystal data and structure refifinement for compounds 1, 2, 4, and 5.

Company Information

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