691888-02-5

Basic information

• Product Name: [(2,6-diisopropylphenyl)NC(t-Bu)CHC(t-Bu)N(2,6-diisopropylphenyl)]Sc(Me)(NH-2,6-diisopropylphenyl)
• Synonyms: [(2,6-diisopropylphenyl)NC(t-Bu)CHC(t-Bu)N(2,6-diisopropylphenyl)]Sc(Me)(NH-2,6-diisopropylphenyl)
• CAS NO: 691888-02-5
• Molecular Weight: 738.092
• Mol File: 691888-02-5.mol

Chemical Properties

• CAS DataBase Reference: [(2,6-diisopropylphenyl)NC(t-Bu)CHC(t-Bu)N(2,6-diisopropylphenyl)]Sc(Me)(NH-2,6-diisopropylphenyl)(CAS DataBase Reference)
• NIST Chemistry Reference: [(2,6-diisopropylphenyl)NC(t-Bu)CHC(t-Bu)N(2,6-diisopropylphenyl)]Sc(Me)(NH-2,6-diisopropylphenyl)(691888-02-5)
• EPA Substance Registry System: [(2,6-diisopropylphenyl)NC(t-Bu)CHC(t-Bu)N(2,6-diisopropylphenyl)]Sc(Me)(NH-2,6-diisopropylphenyl)(691888-02-5)

Safety Data

• Hazardous Substances Data: 691888-02-5(Hazardous Substances Data)

Upstream product

• 691888-00-3 [(((CH₃)2CH)2C₆H₃NC(C(CH₃)3)CHC(C(CH₃)3)NC₆H₃(CH(CH₃)2)2)ScCl(NHC₆H₃(CH(CH₃)2)2)] 
• 917-54-4 methyllithium 
• 241165-09-3 [(2,6-(i-Pr)2C₆H₃NC(t-Bu)CHC(t-Bu)N-2,6-(i-Pr)2C₆H₃)ScCl₂] 
• 24544-04-5 2,6-diisopropylbenzenamine 

Downstream Products

• 1407965-76-7 C₅₁H₈₁N₄Sc 
• 1407965-82-5 C₅₁H₇₉⁽²⁾H₂N₄Sc 
• 1407965-77-8 C₅₅H₇₆N₃Sc 
• 1407965-80-3 C₅₄H₈₀N₅Sc 
• 1407965-75-6 C₄₇H₇₀N₃Sc 

Relevant articles and documents

Synthesis and reactivity of a terminal scandium imido complex

Preparation of a terminal scandium imido complex, 2·DMAP, was accomplished through thermolysis of an arylamido methyl complex, 1, stabilized by a bulky β-diketiminato ligand in the presence of 4-N,N- dimethylaminopyridine (DMAP). Mechanistic studies revealed that the reaction proceeds by initial metalation of 1, followed by rapid DMAP-promoted alkane elimination to generate the scandium imido complex. Kinetic studies of the reaction between separately synthesized metalate 3 and DMAP under pseudo-first-order conditions yielded activation parameters of ΔH a = 73.5(2) kJ mol-1 and ΔS a = -70.4(5) J K-1 mol-1. The reaction of 2·DMAP with tert-butyl amine or phenylacetylene resulted in addition of the N-H or C-H bond across the scandium imide linkage, respectively, to furnish complexes endo-/exo-4 and endo-5. These compounds were fully characterized, including via structural analysis, providing further evidence for the terminal scandium imido derivative 2·DMAP.

β-diketiminato scandium chemistry: Synthesis, characterization, and thermal behavior of primary amido alkyl derivatives

Treatment of the β-diketiminato-supported scandium dichlorides {[ArNC(R)CHC(R)NAr]-ScCl2}n (Ar = 2,6-iPr 2-C6H3; R = CH3, 1a, n = 2; R = tBu, 1b, n = 1) with 1 equiv of a lithium amide reagent LiN(H)R′ (R′ = tBu, 2,6-iPr2-C 6H3) gave scandium amido derivatives. For 1a, use of LiN(H)tBu leads to the bis-amido derivative (6a) regardless of the equivalency of amide reagent employed, suggesting that facile ligand redistribution processes are operative when the ligand is the less bulky methyl-substituted example. For 1b, mono-amido chlorides 2b (R′ = tBu) and 3b (R′ = 2,6-iPr2-C 6H3) are obtained in good yields, and these compounds can be alkylated with MeLi to provide mono-amido methyl compounds 4b (R′ = tBu) and 5b (R′ = 2,6-iPr2-C 6H3). All four of these compounds were characterized crystallographically. The amido ligand occupies the exo coordination site exclusively, and there is no evidence in solution for a diastereomer with the amido group in the endo site. DFT calculations suggest that there is a strong steric preference and a slight electronic bias for the amido ligand to assume the exo position. Thermolysis of the amido methyl complex 4b leads to loss of CH4 and production of a scandacylic product, 7, formed via metalation with one of the N-aryl isopropyl methyl groups. This compound was characterized crystallographically. Deuterium labeling experiments suggest that 7 is produced via direct metalation and does not form via a scandium imido intermediate.