CID 15246147

Base Information

• Chemical Name: CID 15246147
• CAS No.: 12093-05-9
• Molecular Formula: C11H8 Fe O3
• Molecular Weight: 244.03
• European Community (EC) Number: 621-975-4
• Mol file: 12093-05-9.mol

Synonyms:12093-05-9;Tricarbonyl(cyclooctatetraene)iron;cyclooctatetraene;formaldehyde;iron;VKMWLPMIRGHDAA-JGZYGLCTSA-N;Tricarbonyl(cyclooctatetraene)iron(II)

Chemical Property of CID 15246147

Chemical Property:

• Vapor Pressure: 7.64mmHg at 25°C
• Melting Point: 93-95 °C(lit.)
• Boiling Point: 140.5°C at 760 mmHg
• Flash Point: 22.2°C
• PSA: 0.00000
• LogP: 1.59830
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 250.029230
• Heavy Atom Count: 15
• Complexity: 88.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tricarbonyl(cyclooctatetraene)iron >96.0%(T) ^*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: C=O.C=O.C=O.C1=CC=CC=CC=C1.[Fe]
• Isomeric SMILES: C=O.C=O.C=O.C\1=C\C=C/C=C\C=C1.[Fe]
• Uses: (Cyclooctatetraene)iron tricarbonyl is used as primary and secondary intermediates.

Technology Process of CID 15246147

There total 1 articles about CID 15246147 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%

bis(triphenylphosphineiminium) tricarbonylnitrosyliron → (cyclooctatetraene)tricarbonyliron (12093-05-9) + bis(triphenylphosphine)iminium di-iododinitrosyliron

Guidance literature:

With CH₃I; cyclo-octatetraene; In dichloromethane; N2-atmosphere; elem. anal.;

DOI:10.1039/DT9760001525

Reference yield: 98.0%

(cyclooctatetraene)tricarbonyliron (12093-05-9) + bis(2-diphenylphosphinoethyl)phenylphosphine (23582-02-7) → (CO)3Fe(C6H5)2P(CH2)2PC6H5(CH2)2P(C6H5)2

Guidance literature:

In benzene; 2-120 h, in equimolar portions of educts or with excess of π-C8H8Fe(CO)3;

Reference yield: 78.0%

(cyclooctatetraene)tricarbonyliron (12093-05-9) + C8H8PC6H5 → trans-(CO)3Fe(C8H8PC6H5)2

Guidance literature:

In further solvent(s); sol: ethylcyclohexane, reflux;

DOI:10.1021/ic50060a021

Downstream raw materials:

Fe(η(4)-C8H8)(CO)2(2,4,6-Me3C6H2NC)

{Fe(η4-C8H8)(CO)2(PhCN)}

1,3-bis(diphenylphosphino)propane tricarbonyl iron⁽⁰⁾

trans-Fe(CO)₃(triphenylphosphine)₂