Tricarbonyl((1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene)chromium

Base Information

• Chemical Name: Tricarbonyl((1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene)chromium
• CAS No.: 12129-67-8
• Molecular Formula: C12H12 Cr O3
• Molecular Weight: 256.221
• European Community (EC) Number: 235-205-6
• DSSTox Substance ID: DTXSID50153212
• Mol file: 12129-67-8.mol

Synonyms:12129-67-8;Tricarbonyl((1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene)chromium;carbon monoxide;chromium;1,3,5-trimethylbenzene;Tricarbonyl[(1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene]chromium;Chromium, tricarbonyl[(1,2,3,4,5,6-.eta.)-1,3,5-trimethylbenzene]-;C12H12CrO3;C12-H12-Cr-O3;DTXSID50153212;EINECS 235-205-6;Tricarbonyl(mesitylene)chromium(0), 98%

Chemical Property of Tricarbonyl((1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene)chromium

Chemical Property:

• Melting Point: 170-172 °C(lit.)
• PSA: 0.00000
• LogP: 1.77210
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 256.019149
• Heavy Atom Count: 16
• Complexity: 65

Purity/Quality:

98%min ^*data from raw suppliers

1,3,5-TRIMETHYLBENZENE CHROMIUM TRICARBONYL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metals, Organic Compounds
• Canonical SMILES: CC1=CC(=CC(=C1)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Technology Process of Tricarbonyl((1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene)chromium

There total 24 articles about Tricarbonyl((1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene)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: 92.0%

dimethylbis[(2,4,6-trimethylphenyl)tricarbonylchromium-C1]tin (80031-84-1) + trifluoroacetic acid (76-05-1) → (mesitylene)tricarbonylchromium (12129-67-8) + Sn(4+)*2CH3(1-)*2F3CCO2(1-) = (CH3)2Sn(F3CCO2)2

Guidance literature:

In hexane; chloroform; under argon, to complex mixt. of hexane and CHCl3 was added and stirred, CF3COOH was syringed in, mixt. was stirred for a few more min; mixt. was filtered, solid was recrystd. from petroleum ether/CH2Cl2, filtrate was distilled in vac., resulting solid was recrystd. from hexane;

Reference yield: 87.0%

Tricarbonyl[η5-(1,3-di-tert-butyl-2-methyl-1,3,2-diazaborolin)]chrom (62126-02-7) + 1,3,5-trimethyl-benzene (108-67-8) → (mesitylene)tricarbonylchromium (12129-67-8) + 1,3-bis(tert-butyl)-2-methyl-2,3-dihydro-1H-1,3,2-diazaborole (62085-92-1)

Guidance literature:

In tetrahydrofuran; heating for 4 h; THF removed, residue stirred with petroleum ether, filtration at 0°C;

Reference yield: 84.0%

chromium(0) hexacarbonyl (199620-14-9,13007-92-6) + 1,3,5-trimethyl-benzene (108-67-8) → (mesitylene)tricarbonylchromium (12129-67-8)

Guidance literature:

boiling;;

upstream raw materials:

chromium⁽⁰⁾ hexacarbonyl

1,3,5-trimethyl-benzene

dimethylbis[(2,4,6-trimethylphenyl)tricarbonylchromium-C₁]tin

trifluoroacetic acid

Downstream raw materials:

1.3.5-(CH₃)3C₆H₃Cr(CO)2CNC₆H₁₁

1.3.5-(CH₃)3C₆H₃Cr(CO)2C₆H₅CCH

1.3.5-(CH₃)3C₆H₃Cr(CO)2P(C₆H₅)3

1.3.5-(CH₃)3C₆H₃Cr(CO)2P(OC₆H₅)3

Refernces

• 1、 Kolehmainen, E.,Laihia, K.,Rybinskaya, M. I.,Kaganovich, V. S.,Kerzina, Z. A.. "Comparative multinuclear magnetic resonance spectroscopic study of transition metal (Cr, W and Mn) mesitylene tricarbonyls and transition metal (Ru and Co) carbonyl clusters". . p. 273 - 278. Retrieved 1993.
• 2、 Khaleel, Abbas,Klabunde, Kenneth J.. "Photochemical synthesis of (η6-arene)chromium hydrido stannyl and (η6-arene)chromium bis(stannyl) complexes". . p. 3223 - 3227. Retrieved 2008/10/09.