Tricarbonyl(p-xylene)chromium

Base Information

• Chemical Name: Tricarbonyl(p-xylene)chromium
• CAS No.: 12129-27-0
• Molecular Formula: C11H10 Cr O3
• Molecular Weight: 242.195
• European Community (EC) Number: 235-204-0
• Mol file: 12129-27-0.mol

Synonyms:12129-27-0;carbon monoxide;chromium;1,4-xylene;P-XYLENE CHROMIUM TRICARBONYL;Tricarbonyl(p-xylene)chromium

Chemical Property of Tricarbonyl(p-xylene)chromium

Chemical Property:

• PSA: 0.00000
• LogP: 1.72490
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 242.003499
• Heavy Atom Count: 15
• Complexity: 58.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Technology Process of Tricarbonyl(p-xylene)chromium

There total 9 articles about Tricarbonyl(p-xylene)chromium 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: 97.0%

para-xylene (106-42-3) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (η6-p-xylene)tricarbonylchromium(0) (12129-27-0)

Guidance literature:

In tetrahydrofuran; dibutyl ether; refluxing for 1 wk; evapn. of solvents under vac., removing unreacted (Cr(CO)6) by sublimation, recrystn. from CH2Cl2 under N2;

Reference yield: 68.0%

4-chlorotoluenetricarbonylchromium (12116-24-4) + hexamethyldistannane (661-69-8) → (η6-p-xylene)tricarbonylchromium(0) (12129-27-0)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; triphenyl-arsane; In tetrahydrofuran; using 1 equiv. of Sn compd., refluxed for 3 h;

DOI:10.1021/om010004s

Reference yield: 30.0%

2,6,15,19-tetrathia<7,7'>paracyclophane (26822-25-3) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (η6-p-xylene)tricarbonylchromium(0) (12129-27-0) + tricarbonyl(3-8-η-{2.2}paracyclophane)chromium (41354-64-7) + (η6-2,6-dithia[7.2]paracyclophane)tricarbonylchromium (76687-36-0) + (8-13-η:21-26-η-2,6,15,19-tetrathia[7.7]paracyclophane)bis(tricarbonylchromium) (76687-37-1) + (η6-2,6,15,19-tetrathia[7.7]paracyclophane)tricarbonylchromium (76687-39-3)

Guidance literature:

In methyl cyclohexane; (N2); refluxed for 48 h; filtered, residue washed with cold CH2Cl2, extd. for 4 h with CHCl3, chromd. (TLC, SiO2, petroleum ether/CH2Cl2, CH2Cl2); elem. anal.;

DOI:10.1016/S0022-328X(00)81379-0

upstream raw materials:

para-xylene

[2.2]Paracyclophan

chromium⁽⁰⁾ hexacarbonyl

(N,N-dimethylaniline)tricarbonylchromium

Downstream raw materials:

tricarbonyl{(4a,5,6,7,8,8a-η)-1,2,3,4-tetrahydronaphthalene}chromium(0)

(benzene)tricarbonylchromium

para-xylene

Hexamethylbenzene