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The chemical compound "W(CC(CH3)3)(OC6H3(CH(CH3)2)2)3" is a complex organometallic compound, which can be described as a tungsten (W)-based molecule with a unique structure. It features a central tungsten atom coordinated to three tris(methyl)cyclopentadienyl ligands (CC(CH3)3) and three 2,6-diisopropylphenoxide ligands (OC6H3(CH(CH3)2)2). The tris(methyl)cyclopentadienyl ligands are aromatic rings with three methyl groups attached to each carbon atom, while the 2,6-diisopropylphenoxide ligands are phenoxide groups with two isopropyl groups (CH(CH3)2) at the 2 and 6 positions of the benzene ring. W(CC(CH3)3)(OC6H3(CH(CH3)2)2)3 is characterized by its stability and potential applications in homogeneous catalysis, given its ability to form strong bonds with the central metal atom and its surrounding ligands.

91229-76-4

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91229-76-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 91229-76-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,2,2 and 9 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 91229-76:
(7*9)+(6*1)+(5*2)+(4*2)+(3*9)+(2*7)+(1*6)=134
134 % 10 = 4
So 91229-76-4 is a valid CAS Registry Number.

91229-76-4Relevant academic research and scientific papers

Metathesis of acetylenes by triphenoxytungstenacyclobutadiene complexes and the crystal structure of W(C3Et3) [O-2,6-C6H3(i-Pr)2]3

Churchill, Melvyn Rowen,Ziller, Joseph W.,Freudenberger, John H.,Schrock, Richard R.

, p. 1554 - 1562 (2008/10/08)

The reaction between W(CCMe3)(1,2-dimethoxyethane)Cl3 and LiO-2,6-C6H3(i-Pr)2 (LiOR) yields yellow, crystalline W(CCMe3)(OR)3 (1). 3-Hexyne reacts with 1 to give Me3CC≡CEt and W(C3Et3)(OR)3 (2) quantitatively. W(C3Et3)[O-2,6-C6H3(i-Pr) 2]3 crystallizes in the monoclinic space group P21/c with a = 19.271 (6) ?, b = 13.000 (3) ?, c = 17.195 (6) ?, β = 96.55 (2)°, and Z = 4. Diffraction data were collected with a Syntex P21 diffractometer, and the structure was refined to RF = 4.67% for all 3873 data with 2θ = 4.5-40.0° (Mo Kα). This sterically crowded molecule is approximately a trigonal bipyramid in which the planar tungstenacyclobutadiene ring is located in the equatorial position with the two W-Cα bond lengths being 1.883 (10) and 1.949 (9) ? and the W?Cβ bond distance being 2.159 (10) ?. Both 2 and an analogous W(C3Pr3)[O-2,6-C6H3(i-Pr) 2]3 complex (3) catalyze the metathesis of 3-heptyne or 4-nonyne. They each react with 3-hexyne-d10 at a rate that is independent of the concentration of 3-hexyne-d10, characteristic of rate limiting loss of 3-hexyne from 2 or 4-octyne from 3: ΔHDagger; ? 26 kcal mol-1 and ΔS? ? 16 eu in each case. Related studies employing O-2,6-C6H3Me2 suggested that this ligand is not bulky enough to yield metathesis catalysts, while use of O-2,6-C6H3(CMe3)2 led to a neopentylidene complex through addition of a tert-butyl CH bond to the W≡C bond.

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