CID 17387585

Base Information

• Chemical Name: CID 17387585
• CAS No.: 12082-03-0
• Molecular Formula: C9H5 Cl Cr O3
• Molecular Weight: 248.586
• Mol file: 12082-03-0.mol

Synonyms:

Chemical Property of CID 17387585

Chemical Property:

• PSA: 0.00000
• LogP: 1.32850
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 247.933226
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)Cl.C(=O)=[Cr](=C=O)=C=O

Technology Process of CID 17387585

There total 3 articles about CID 17387585 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: 63.0%

chromium(0) hexacarbonyl (199620-14-9,13007-92-6) + chlorobenzene (108-90-7) → (benzene)tricarbonylchromium (697302-50-4,697302-51-5,12082-08-5,697302-53-7) + tricarbonyl(η6-chlorobenzene)chromium (12082-03-0) + tricarbonyl{(4a,5,6,7,8,8a-η)-1,2,3,4-tetrahydronaphthalene}chromium(0) (12154-63-1)

Guidance literature:

With catalyst: butyl acetate; In decalin; byproducts: CO; refluxing for 6 h (catalyst: butyl acetate); freezing out at -18°C or quick chromy. of the decaline soln. on a SiO2 column;

DOI:10.1016/0022-328X(91)80046-M

Reference yield: 1.0%

chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (benzene)tricarbonylchromium (697302-50-4,697302-51-5,12082-08-5,697302-53-7) + tricarbonyl(η6-chlorobenzene)chromium (12082-03-0)

Guidance literature:

With chlorobenzene; In decalin; byproducts: CO; (Ar); refluxed for 7 h;

DOI:10.1016/0022-328X(91)83181-3

Reference yield: 1.0%

chromium(0) hexacarbonyl (199620-14-9,13007-92-6) + chlorobenzene (108-90-7) → (benzene)tricarbonylchromium (697302-50-4,697302-51-5,12082-08-5,697302-53-7) + tricarbonyl(η6-chlorobenzene)chromium (12082-03-0)

Guidance literature:

In decalin; byproducts: CO; 3.5:1 mixture of arene and Cr(CO)6 in solvent purged for 20 min with Ar, evacuated for 20 min, mixture refluxed, cooled to 20°C, cooled to -18°C under argon, reaction time 5 h; filtered off, dissolved in benzene, filtered through Kieselguhr, concentrated, light petroleum added, crystn. at -18°C, complexes eluted with benzene/ethyl acetate, elem. anal., NMR;

DOI:10.1016/0022-328X(90)87203-P

upstream raw materials:

chromium⁽⁰⁾ hexacarbonyl

chlorobenzene

Downstream raw materials:

N,N-diethylbenzamide

N,N-diethyl-2-oxo-2-phenylacetamide

(η6-anisol)tricarbonyl chromium

tricarbonyl[η(6)-(phenylethynyl)benzene]chromium(0)