Carbon monoxide;chromium;ethylbenzene

Base Information

• Chemical Name: Carbon monoxide;chromium;ethylbenzene
• CAS No.: 12203-31-5
• Molecular Formula: C11H10 Cr O3
• Molecular Weight: 242.195
• European Community (EC) Number: 631-415-0
• DSSTox Substance ID: DTXSID80452669
• Mol file: 12203-31-5.mol

Synonyms:carbon monoxide;chromium;ethylbenzene;12203-31-5;(Ethylbenzene)tricarbonylchromium(0);AGN-PC-0NER0I;DTXSID80452669

Chemical Property of Carbon monoxide;chromium;ethylbenzene

Chemical Property:

• Melting Point: 47-51 °C(lit.)
• Flash Point: >230 °F
• PSA: 0.00000
• LogP: 1.62500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.003499
• Heavy Atom Count: 15
• Complexity: 61.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Technology Process of Carbon monoxide;chromium;ethylbenzene

There total 2 articles about Carbon monoxide;chromium;ethylbenzene 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: 88.0%

ethylbenzene (100-41-4,27536-89-6) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (ethylbenzene)tricarbonylchromium (12203-31-5)

Guidance literature:

In not given; boiling;;

Reference yield: 86.0%

tris(ammonia)chromium tricarbonyl (41371-94-2,14974-11-9,96647-88-0) + ethylbenzene (100-41-4,27536-89-6) → (ethylbenzene)tricarbonylchromium (12203-31-5)

Guidance literature:

In 1,4-dioxane; boiling;;

DOI:10.1016/S0022-328X(00)92813-4

Reference yield: 75.0%

(ethylbenzene)tricarbonylchromium (12203-31-5) + 3-phenyl-2-propen-1-yl 2,2-dimethylproponate (77821-95-5) → (C6H5CHCH3(CH2CHCHC6H5))Cr(CO)3 (1350563-85-7)

Guidance literature:

With LiN(Si(CH₃)3)2; N,N,N',N'',N''-pentamethyldiethylenetriamine; catalyst: Pd(C₈H₁₂)Cl₂ and Xantphos; In tetrahydrofuran; (N2, Schlenk) Li-amide compound was added to Cr-complex followed by dry THF, stirred for 5 min, Pd-complex and Xantphos were added, stirring 5 min, allyl-compound was added followed by triamine, stirred for 12 h at room temp.; quenched with 2 drops of H2O diluted with ethyl acetate, filtered over apad of MgSO4 and silica, the pad was rinsed with ethyl acetate, concd., flash chromy. on silica gel column;

DOI:10.1021/ja208935u

upstream raw materials:

tris(ammonia)chromium tricarbonyl

ethylbenzene

chromium⁽⁰⁾ hexacarbonyl

Downstream raw materials:

ethylbenzene

p-Ethyl-n-butylbenzene

m-Ethyl-n-butylbenzene

1-(tert-butyl)-3-ethylbenzene