CID 6100622

Base Information

• Chemical Name: CID 6100622
• CAS No.: 15096-68-1
• Molecular Formula: C₇H₃NO₅W
• Molecular Weight: 364.955
• Mol file: 15096-68-1.mol

Synonyms:

Chemical Property of CID 6100622

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 364.952055
• Heavy Atom Count: 14
• Complexity: 39.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

Technology Process of CID 6100622

There total 8 articles about CID 6100622 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

pentacarbonyl(diphenylcarben)wolfram + acetonitrile (75-05-8,26809-02-9) → cis-W(CO)4(acetonitrile)2 (16800-45-6,29890-10-6,53447-66-8) + pentacarbonyl(acetonitrile)tungsten (15096-68-1) + pentacarbonyl{diphenylmethyleneamino(methyl)carbene}tungsten

Guidance literature:

In acetonitrile; byproducts: diphenylketene; stirring at 50°C for 30 min (N2); evapn., chromy. (Kieselgel, -20°C) yields first (pentane/CH2Cl2) dinitrile complex (evapn., recrystn. (pentane/CH2Cl2)), then (CH2Cl2) nitrile complex (evapn., -20°C, high vac., elem. anal.); carbene complex and Ph2CCO are detected by IR;

DOI:10.1016/0022-328X(87)80228-0

Reference yield: 61.0%

bis(acetonitrile)bromo(pentafluorophenyl)palladium(II) (125475-73-2) + [(C6H5CHCHCN(C2H5)2)W(CO)5] → pentacarbonyl(acetonitrile)tungsten (15096-68-1) + trans-[Pd(.mu-Br)(C6F5)(PhCH=CHC(NEt2))]2

Guidance literature:

In dichloromethane; Schlenk technique; Pd complex was added to soln. of W complex in CH2Cl2;mixt. was stirred for 30 min; filtered through activated C and Celite; evapd.; Et2O added; kept at -20°C for 12 h; filtered; washed (pentane); dried (vac.);

DOI:10.1021/om051028s

Reference yield: 42.0%

bis(acetonitrile)bromo(pentafluorophenyl)palladium(II) (125475-73-2) + [W(CO)5(C(OCH3)CHCHCH3)] → pentacarbonyl(acetonitrile)tungsten (15096-68-1) + (OCH3)C(C6F5)CHCH(C6F5)CH3 (1219103-64-6) + [Pd(μ-Br)(η3-C(C6F5)(OMe)CHCHMe)]2 (1219103-65-7,1219453-83-4)

Guidance literature:

In CH₂Cl₂; under inert gas; to soln. of W(CO)5C(OMe)CHCHMe (0.613 mmol) in CH2Cl2 Pd(C6F5)Br(NCMe)2 (0.613 mmol) added, stirred for 4 h at room temp.; filtered (activated carbon), solvent removed, triturated (pentane), filtered, washed (pentane), vacuum-dried; elem. anal.;

DOI:10.1016/j.jorganchem.2009.10.027

upstream raw materials:

acetonitrile

tungsten hexacarbonyl

bis(acetonitrile)bromo(pentafluorophenyl)palladium(II)

(CH₂CHC(OCH₃))tungsten(carbonyl)5

Downstream raw materials:

[W(CO)4((Z,Z)-((2,6-bis(bis(trimethylsilyl)methyl)-4-(tris(trimethylsilyl)methyl)phenyl)P=PC₅H₄)2Fe)]

[W(CO)4((E,Z)-((2,6-bis(bis(trimethylsilyl)methyl)-4-(tris(trimethylsilyl)methyl)phenyl)P=PC₅H₄)2Fe)]

tetracarbonyl-1,2-bis(diphenylphosphino)ethane-tungsten(0)

{μ-bis(diphenylphosphino)ethane}-bis{pentacarbonyltungsten(0)}

Refernces

• 1、 Albéniz, Ana C.,Espinet, Pablo,Pérez-Mateo, Alberto. "Palladium(II) allylic complexes by carbene transmetalation and migratory insertion reactions: Synthesis and side reactions". . p. 441 - 445. Retrieved 2010/05/03.
• 2、 Silavwe, Ned D.,Goldman, Alan S.,Ritter, Robin,Tyler, David R.. "Reduction of CO2 and other substrates using photochemical reactions of the W2(CO)102- complex". . p. 1231 - 1236. Retrieved 2008/10/08.