645391-49-7

Basic information

• Product Name: Mo(N-2,6-i-Pr2C6H3)(CHCMe2Ph)(OTf)2(DME)
• Synonyms: Mo(N-2,6-i-Pr2C6H3)(CHCMe2Ph)(OTf)2(DME)
• CAS NO: 645391-49-7
• Molecular Weight: 791.682
• Mol File: 645391-49-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Mo(N-2,6-i-Pr2C6H3)(CHCMe2Ph)(OTf)2(DME)(CAS DataBase Reference)
• NIST Chemistry Reference: Mo(N-2,6-i-Pr2C6H3)(CHCMe2Ph)(OTf)2(DME)(645391-49-7)
• EPA Substance Registry System: Mo(N-2,6-i-Pr2C6H3)(CHCMe2Ph)(OTf)2(DME)(645391-49-7)

Safety Data

• Hazardous Substances Data: 645391-49-7(Hazardous Substances Data)

Upstream product

• 78923-65-6 N-trimethylsilyl-2,6-diisopropylaniline 
• 24544-04-5 2,6-diisopropylbenzenamine 
• 35293-35-7 2-methyl-2-phenyl-1-propylmagnesium chloride 
• 126949-61-9 (2,6-disopropylphenylamido)(2,6-diisopropylphenylimido)bis(neophyl)molybdenum 
• 1493-13-6 trifluorormethanesulfonic acid 

Downstream Products

• 153925-45-2 {(2-methyl-2-phenyl-propylidene)((2,6-diisopropylphenyl)imido)molybdenum(VI)bis(perfluoro-tert-butoxide)} 
• 153842-59-2 Mo(N-2,6-diisopropylphenyl)(CHCMe₂Ph)(O-1-adamantyl)2 
• 153842-60-5 Mo(NC₆H₃(CH(CH₃)2)2)(CHC(CH₃)2C₆H₅){OC(CH₃)2(C(CH₃)3)}2 
• 153842-61-6 Mo(NC₆H₃(CH(CH₃)2)2)(CHC(CH₃)2C₆H₅)(OCH(CH₃)2)2 
• 139220-25-0 bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum 
• 134452-74-7 {(neophylidene)(2,6-diisopropylphenylimido)(2,6-diisopropylpenoxide)2 molybdenum} 
• 127061-12-5 {(neophylidene)(2,6-diisopropylphenylimido)(2-tert-butylphenoxide)2 molybdenum} 
• 143172-69-4 {(2-methyl-2-phenyl-propylidene)((2,6-diisopropylphenyl)imido)molybdenum(VI)bis(perfluoro-2-methyl-2-pentoxide)} 
• 149883-24-9 {(2-methyl-2-phenyl-propylidene)((2,6-diisopropylphenyl)imido)molybdenum(VI)bis(trifluoro-tert-butoxide)} 

Relevant articles and documents

Synthesis of molybdenum imido alkylidene complexes and some reactions involving acyclic olefins

The reaction between Mo(C-t-Bu)(dme)Cl3 (dme = 1,2-dimethoxyethane) and Me3SiNHAr (Ar = 2,6-diisopropylphenyl) yields Mo(C-t-Bu)(NHAr)Cl2(dme) (1), which upon treatment with a catalytic amount Of NEt3 is transformed into Mo(CH-t-Bu)(NAr)Cl2(dme) (2). Complexes of the type Mo(CH-t-Bu)(NAr)(OR)2 (OR = OCMe(CF3)2, OCMe2(CF3), O-t-Bu, or OAr) have been prepared from 2. Complexes of the type Mo(C-t-Bu)(NHAr)(OR)2 (OR = OCMe(CF3)2 or OAr) have been prepared from 1, but they cannot be transformed into Mo(CH-t-Bu)(NAr)(OR)2 complexes. A precursor to imido alkylidene complexes that is related to 2 has been prepared by the sequence MoO2 → MoO2Cl2 → Mo(NAr)2Cl2 → Mo-(NAr)2(CH2R′)2 → Mo(CHR′)(NAr)(OTf)2(dme) (R′ = t-Bu or CMe2Ph; OTf = OSO2CF3). Mo(CH-t-Bu)(NAr)(OTf)2(dme) crystallizes in the space group P1 with a = 17.543 ?, b = 19.008 ?, c = 9.711 ?, α = 91.91°, β = 99.30°, γ = 87.27°, Z = 4, Mr = 729.60, V = 3191.1 ?3, ρ(calcd) = 1.518 g cm-3. It is a pseudooctahedral species in which the imido and alkylidene ligands are cis to one another, the triflate ligands are mutually trans, and the tert-butyl group points toward the imido ligand (syn orientation). Neophylidene complexes, Mo(CHCMe2Ph)(NAr)(OR)2 (OR = O-t-Bu, OAr, or O-2-C6H4-t-Bu), have been prepared from Mo(CHCMe2Ph)(NAr)(triflate)2(dme). Activity for the metathesis of cis-2-pentene by Mo(CHR′)-(NAr)(OR)2 complexes roughly correlates with the electron-withdrawing ability of OR, being rapid when OR = OCMe(CF3)2 and slow to negligible when OR = O-t-Bu. In several cases it is clear from proton NMR studies that the alkylidene ligand can rotate on the NMR time scale; in Mo(CHSiMe3)(NAr)(OAr)2 it has been shown that ΔG?298 = 16.0 kcal mol-1 for this process. Mo[CH(SiMe3)CH(SiMe3)CH2](NAr)[OCMe 2(CF3)]2 has been observed and found to be ～3 orders of magnitude less stable than the analogous tungsten complex. Trigonal-bipyramidal Mo(CH2CH2CH2)(NAr)[OCMe(CF3) 2]2 can be prepared at 25 °C in high yield, but it decomposes over a period of 12 h. Instability of OCMe(CF3)2 metallacyclobutane complexes has been traced to reduction by β-hydride rearrangement to give an olefin. In one case a complex containing the olefin product, Mo(NAr)(Me3SiCH=CH2)[OCMe(CF3)2] 2, was isolated.