Tris(acetonitrile)tricarbonyltungsten(0)

Base Information

• Chemical Name: Tris(acetonitrile)tricarbonyltungsten(0)
• CAS No.: 16800-47-8
• Molecular Formula: C₉H₉N₃O₃W
• Molecular Weight: 391.039
• European Community (EC) Number: 240-833-9
• Mol file: 16800-47-8.mol

Synonyms:16800-47-8;acetonitrile;carbon monoxide;tungsten;Tris(acetonitrile)tricarbonyltungsten(0);TRIS(ACETONITRILE)TRICARBONYLTUNGESTEN(;TRIS(ACETONITRILE)TRICARBONYLTUNGESTEN(&;C9H9N3O3W;C9-H9-N3-O3-W

Chemical Property of Tris(acetonitrile)tricarbonyltungsten(0)

Chemical Property:

• Vapor Pressure: 171mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 63.5°C at 760 mmHg
• Flash Point: 5.6°C
• PSA: 71.37000
• LogP: 0.96564
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 391.015324
• Heavy Atom Count: 16
• Complexity: 39.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tris(acetonitrile)tricarbonyltungsten(0) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 28-36/37-45-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC#N.CC#N.CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
• Uses: Catalyst for allylic substitutionsReactant for: Mixed disilyl-substituted cyclopentadiene derivativesSynthesis of catalytically active ansa compounds with cycloalkyl moietiesStepwise assembly of mixed metal dinuclear carbonyl complexesCycloaddition of M(CO)3-coordinated-cyanoazepine with alkynes

Technology Process of Tris(acetonitrile)tricarbonyltungsten(0)

There total 8 articles about Tris(acetonitrile)tricarbonyltungsten(0) 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: 95.0%

tungsten hexacarbonyl (14040-11-0) + acetonitrile (75-05-8,26809-02-9) → tricarbonyl-tris(acetonitrile)tungsten(0) (16800-47-8,30958-95-3)

Guidance literature:

In acetonitrile; dry, inert atm., under N2, 7 d, reflux; concn., extn. (pentane, diethylether), evapn. (vac.);

DOI:10.1016/0022-328X(86)80197-8

Reference yield: 82.0%

(1,3,5-trimethyl-1,3,5-triazacyclohexane)tungsten(0) tricarbonyl (205106-38-3) + acetonitrile (75-05-8,26809-02-9) → fac-[W(CO)3(MeCN)3] (16800-47-8,30958-95-3)

Guidance literature:

In acetonitrile; N2-atmosphere; pptn. on PhMe addn., collection (filtration), washing (hexanes), drying (vac.); elem. anal.;

DOI:10.1016/S0022-328X(98)00642-1

Reference yield:

{(mesitylene)W(CO)3(CH3CN)}(2+) (133947-42-9) → tricarbonyl-tris(acetonitrile)tungsten(0) (16800-47-8,30958-95-3) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

In acetonitrile; redn. after 20 min;

DOI:10.1021/ja00011a002

upstream raw materials:

(1,3,5-trimethyl-1,3,5-triazacyclohexane)tungsten⁽⁰⁾ tricarbonyl

acetonitrile

tungsten hexacarbonyl

tris(carbonyl)(pentamethylcyclopentadienyl)hydridotungsten

Downstream raw materials:

acetonitrile

fac-W(CO)3(CH₃CN)(dppm)

C₃₃H₃₇NO₃P₂Si₂W