Cas 851530-65-9,(C6H3(CH(CH3)2)2NCCH3CHCCH3CHC(CH3)3)Ti(NC6H3(CH(CH3)2)2)(Cl)

851530-65-9

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Basic information

Product Name: (C₆H₃(CH(CH₃)2)2NCCH₃CHCCH₃CHC(CH₃)3)Ti(NC₆H₃(CH(CH₃)2)2)(Cl)
Synonyms:
CAS NO:851530-65-9
Molecular Formula:
Molecular Weight: 571.125
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CAS DataBase Reference: (C₆H₃(CH(CH₃)2)2NCCH₃CHCCH₃CHC(CH₃)3)Ti(NC₆H₃(CH(CH₃)2)2)(Cl)(CAS DataBase Reference)
NIST Chemistry Reference: (C₆H₃(CH(CH₃)2)2NCCH₃CHCCH₃CHC(CH₃)3)Ti(NC₆H₃(CH(CH₃)2)2)(Cl)(851530-65-9)
EPA Substance Registry System: (C₆H₃(CH(CH₃)2)2NCCH₃CHCCH₃CHC(CH₃)3)Ti(NC₆H₃(CH(CH₃)2)2)(Cl)(851530-65-9)

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Hazardous Substances Data: 851530-65-9(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 851530-65-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,5,1,5,3 and 0 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 851530-65:
(8*8)+(7*5)+(6*1)+(5*5)+(4*3)+(3*0)+(2*6)+(1*5)=159
159 % 10 = 9
So 851530-65-9 is a valid CAS Registry Number.

851530-65-9Upstream product

851530-65-9Downstream Products

851530-65-9Relevant academic research and scientific papers

Four-coordinate titanium alkylidene complexes: Synthesis, reactivity, and kinetic studies involving the terminal neopentylidene functionality

Basuli, Falguni,Bailey, Brad C.,Watson, Lori A.,Tomaszewski, John,Huffman, John C.,Mindiola, Daniel J.

, p. 1886 - 1906 (2005)

A series of titanium complexes containing a terminal neopentylidene functionality have been prepared by a one electron oxidatively induced a-hydrogen abstraction from the corresponding bis-neopentyl precursor (Nacnac)Ti(CH2tBu)2 (Nacnac- = [Ar]NC(CH3)CHC-(CH3)N[Ar], Ar = 2,6-(CHMe 2)2C6H3), among them (Nacnac)Ti=CHtBu(OTf) and (Nacnac)-Ti=CHtBu(I). It was determined that bulky alkyl groups bound to titanium as well as a bulky coordinating anion from the oxidant are needed to promote a-hydrogen abstraction. Complex (Nacnac)Ti=CHtBu(OTf) serves as a template for other four-coordinate titanium neopentylidene complexes such as (Nacnac)Ti=CH tBu(X) (X- = Cl, Br, and BH4). Complexes (Nacnac)Ti=CHtBu(X) undergo cross-metathesis reactivity with the imine functionality of the Nacnac- ligand forming the imido complexes (H tBuC=C(Me)CHC(Me)N[Ar])Ti=NAr-(X) (X- = OTf, Cl, Br, I, BH4). In addition, C-H activation of two tertiary carbons also takes place to afford the titanacycles Ti[2,6-(CMe2)(CHMe 2)C6H3]NC(Me)CHC(Me)N[2,6-(CMe 2)-(CHMe2)C6H3](X) (X- = OTf, Cl, Br and η2-BH4). Kinetic studies in C 6D6 reveal the formation of (HtBuC=C(Me)CHC(Me) N[Ar])Ti=NAr(I) from (Nacnac)Ti=CHtBuCI) to be independent of solvent (C6D6, Et2O-d10, THF-ds) and the reaction to be first order in titanium (k = 8.06 × 10-4 s -1 at 57°C, with activation parameters ΔH? = 21.3(2) kcal/mol, ΔS? = -8(3) cal/mol K). Compound (Nacnac)Ti=CH tBu(OTf) reacts with various substrates to afford products in which the alkylidene functionality has been significantly transformed. When the alkylidene derivatives (NacnactBu)Ti=CHtBu(X) (X - = OTf, I; NacnactBu- = [Ar]NC( tBu)CHC(tBu)N[Ar]) were prepared, the intramolecular cross-metathesis transformation observed with (Nacnac)Ti=CHtBu(X) was inhibited completely.

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