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769968-32-3

[Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)] is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • [Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)]

    Cas No: 769968-32-3

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  • 769968-32-3 Structure

  • Basic information

    1. Product Name: [Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)]
    2. Synonyms: [Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)]
    3. CAS NO:769968-32-3
    4. Molecular Formula:
    5. Molecular Weight: 869.136
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 769968-32-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: [Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)](CAS DataBase Reference)
    10. NIST Chemistry Reference: [Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)](769968-32-3)
    11. EPA Substance Registry System: [Pd(3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl)I((t)BuNC)(PPh3)](769968-32-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 769968-32-3(Hazardous Substances Data)

769968-32-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 769968-32-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,6,9,9,6 and 8 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 769968-32:
(8*7)+(7*6)+(6*9)+(5*9)+(4*6)+(3*8)+(2*3)+(1*2)=253
253 % 10 = 3
So 769968-32-3 is a valid CAS Registry Number.

769968-32-3Relevant articles and documents

Synthesis and reactivity of ortho-palladated arylcarbodiimides and aryl isothiocyanates. Formation of C-palladated quinazolines. Synthesis of 2-aminoquinolines

Vicente, Jose,Abad, Jose-Antonio,Lopez-Serrano, Joaquin,Jones, Peter G.

, p. 4711 - 4722 (2008/10/09)

The iminophosphoranes Ph3P=NC6H3X-2-R-4 (X = I, R = H (1a); X = Br, R = NO2 (1b); X = Br, R = Me (1c)) react with p-tolyl isocyanate and 1a reacts with CS2 to give the carbodiimides ToN=C=NC6H3X-2-R-4 (To = C6H 4Me-4; X = I, R = H (2a); X = Br, R = NO2 (2b); X = Br, R = Me (2c)) and the isothiocyanate S=C=NC6H4I-2 (3), respectively. The compounds 2 and 3 react with Pd(dba)2 ([Pd 2(dba)3]·dba, dba = dibenzylideneacetone) in the presence of the appropriate ligands to give the ortho-palladated arylcarbodiimides [Pd(C6H3N=C=NTo-2-R-5)XL2] (L = PPh3, X = I, R = H (4a); L = PPh3, X = Br, R = NO 2 (4b), Me (4c); L2 = bpy (2,2′-bipyridine), X = I, R = H (5a)) and trans-[Pd(C6H4N=C=S-2)I(PPh 3)2] (6), respectively. Complex 4a reacts with pyridine (py) and Tl(TfO) (TfO = triflate, CF3SO3) and 5a reacts with 4-tert-butylpyridine (tBupy) and Tl(TfO) to give the complexes trans-[Pd(C6H4N=C=NTo-2)(py)(PPh3) 2]TfO (7a) and [Pd(C6H4N=C=NTo-2)( tBupy)(bpy)]TfO (8a), respectively. Complex 4a reacts with XyNC (Xy = 2,6-dimethylphenyl) to give the palladated quinazoline trans-[Pd(ToNqXy)I(CNXy) 2] (ToNqXy = 3-(2,6-dimethylphenyl)-2-[(4-methylphenyl)imino]-2,3- dihydroquinazolin-4-yl (9a)) and with tBuNC to give [Pd(ToNq tBu)I(CNtBu)(PPh3)] (ToNqtBu = 3-tert-butyl-2-[(4-methylphenyl)imino]-2,3-dihydroquinazolin-4-yl (10a′)). Reaction of 10a′ with Tl(TfO) and PPh3 results in the formation of trans-[Pd(ToNHq)(CNtBu)(PPh3)2]TfO (11; ToNHq = 2-[(4-methylphenyl)amino]quinazolin-4-yl). The reaction of R′C=CR′ with 4a, 5a, or 4c gives 2-[(4-methylphenyl)amino]-3,4- R′2-6-R-quinoline (R′ = CO2Me, R = H (12a), Me (12c); R′ = Ph, R = H (12a′)). Some of these reactions require the presence of Tl(TfO). The crystal and molecular structures of 6, 8a·CDCl3, 9a·0.5OEt2, 11, 12a, and 12a′ have been determined.

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