121211-81-2

Basic information

• Product Name: W{(⁽¹³⁾CH₂)3}(NC₆H₃(CH(CH₃)2)2){OC(CH₃)3}2
• CAS NO: 121211-81-2
• Molecular Weight: 550.401
• Mol File: 121211-81-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: W{(⁽¹³⁾CH₂)3}(NC₆H₃(CH(CH₃)2)2){OC(CH₃)3}2(CAS DataBase Reference)
• NIST Chemistry Reference: W{(⁽¹³⁾CH₂)3}(NC₆H₃(CH(CH₃)2)2){OC(CH₃)3}2(121211-81-2)
• EPA Substance Registry System: W{(⁽¹³⁾CH₂)3}(NC₆H₃(CH(CH₃)2)2){OC(CH₃)3}2(121211-81-2)

Safety Data

• Hazardous Substances Data: 121211-81-2(Hazardous Substances Data)

Upstream product

• 51915-19-6 [13C₂]ethene 
• 107440-84-6 W(O-t-Bu)2(N-2,6-C₆H₃-i-Pr₂)(CH-t-Bu) 

Relevant articles and documents

Trigonal-bipyramidal and square-pyramidal tungstacyclobutane intermediates are both present in systems in which olefins are metathesized by complexes of the type W(CHR′)(N-2,6-C6H3-i-Pr2)(OR)2

Neopentylidene complexes of the type W-(CH-t-Bu)(NAr)(OR)2 (Ar = 2,6-C6H3-i-Pr2; OR = O-t-Bu, OCMe2(CF3), OAr) react with ethylene to give trigonalbipyramidal or square-pyramidal tungstacyclobutane complexes. A square-pyramidal form is observed when OR = O-t-Bu. Both forms are present when OR = OCMe2-(CF3) or OAr, and they interconvert at a rate that is on the order of the NMR time scale. Unsubstituted metallacycles react with excess neohexene to give square-pyramidal W[CH2CH(t-Bu)CH2](NAr)(OR)2 complexes (OR = O-t-Bu, OCMe2(CF3), OAr). W[CH2CH(t-Bu)CH2](NAr)[OCMe2-(CF 3)]2 has been characterized crystallographically (space group P42/n, a = 25.26 (2) ?, c = 9.720 (5) ?, V = 6202 ?3, Mr = 711.48, ρ(calcd) = 1.524 g cm-3, Z = 8, μ = 40.05 cm-1, R = 0.056, Rw = 0.082). The reaction between W[CH2CH(t-Bu)CH2](NAr)(OAr)2 and ethylene to give W[CH2CH2CH2](NAr)(OAr)2 and tert-butylethylene is zero-order in ethylene and first-order in tungsten between 9 and 34°C with ΔH? = 19.8 (4) kcal mol-1, ΔS? = -6 (1) eu, and ΔG?298 = 21.6 (7) kcal mol-1.