Methyl benzoate chromium tricarbonyl

Base Information

• Chemical Name: Methyl benzoate chromium tricarbonyl
• CAS No.: 12125-87-0
• Molecular Formula: C11H8 Cr O5
• Molecular Weight: 272.178
• European Community (EC) Number: 631-408-2
• Mol file: 12125-87-0.mol

Synonyms:(Methyl benzoate) chromium tricarbonyl;GEALMZJLYGNHRA-UHFFFAOYSA-N;Methyl benzoate chromium tricarbonyl;(.eta.6-Methylbenzoate) chromium tricarbonyl

Chemical Property of Methyl benzoate chromium tricarbonyl

Chemical Property:

• Melting Point: 95-96°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 0.14500
• Sensitive.: Air & Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 271.977678
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

98%min ^*data from raw suppliers

(METHYL BENZOATE)TRICARBONYLCHROMIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6]

Technology Process of Methyl benzoate chromium tricarbonyl

There total 6 articles about Methyl benzoate chromium tricarbonyl 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: 85.0%

trans-Pd{(η6-C6H5CO)Cr(CO)3}Cl(PPh3)2 (136805-11-3) → (benzene)tricarbonylchromium (697302-50-4,697302-51-5,12082-08-5,697302-53-7) + (methylbenzoate)chromium tricarbonyl (12125-87-0)

Guidance literature:

With methanol; triethyl amine; In chlorobenzene; (Ar), Et3N added dropwise to stirred soln. at room temp.; GLC;

DOI:10.1021/om00058a015

Reference yield: 50.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (benzene)tricarbonylchromium (697302-50-4,697302-51-5,12082-08-5,697302-53-7) + tricarbonyl(η(6)-toluene)chromium (12083-24-8) + (methylbenzoate)chromium tricarbonyl (12125-87-0)

Guidance literature:

In tetrahydrofuran; refluxing in THF for 62 h at 130°C; extn. of solvent, chromy. (SiO2, hexane/benzene/ether (5:1:1)), IR, (1)H-NMR;

Reference yield: 19.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (benzene)tricarbonylchromium (697302-50-4,697302-51-5,12082-08-5,697302-53-7) + (methylbenzoate)chromium tricarbonyl (12125-87-0)

Guidance literature:

In tetrahydrofuran; byproducts: CO; Irradiation (UV/VIS); irradn. of a soln. of arene and Cr(CO)6 in degassed THF for 40 h at room temp. under N2; removal of THF under reduced pressure, dissoln. of residue in pentane/EtOAc (9/1), chromy. on silica column., elution, evapn. under reduced pressure, recrystn. from pentane;

DOI:10.1016/0022-328X(89)87116-5

upstream raw materials:

benzoic acid methyl ester

chromium⁽⁰⁾ hexacarbonyl

Cr(C₆H₅COOCH₃)(CO)2(S(C₆H₅)2)

Cr(C₆H₅COOCH₃)(CO)2(S(CH₂C₆H₅)2)

Downstream raw materials:

Cr(CO)5(SC(SCH₃)C₆H₅)

methyl 4′-methoxy(1,1′-biphenyl)-3-carboxylate

methyl 4'-methoxybiphenyl-2-carboxylate

chromium⁽⁰⁾ hexacarbonyl