CYCLOHEXADIENE IRON TRICARBONYL

Base Information

• Chemical Name: CYCLOHEXADIENE IRON TRICARBONYL
• CAS No.: 12152-72-6
• Molecular Formula: C9H8FeO3
• Molecular Weight: 220.008
• Mol file: 12152-72-6.mol

Synonyms:Cyclohexadieneirontricarbonyl (6CI);Iron, tricarbonyl(1,3-cyclohexadiene)- (7CI,8CI);1,3-Cyclohexadiene, iron complex;1,3-Cyclohexadieneiron tricarbonyl;Cyclohexadienetricarbonyliron;Tricarbonyl(1,3-cyclohexadiene)iron;Tricarbonyl(h4-1,3-cyclohexadiene)iron;iron(4+) cyclohexane-1,2,3,4-tetraide - carbon monooxide (1:1:3);

Chemical Property of CYCLOHEXADIENE IRON TRICARBONYL

Chemical Property:

• Melting Point: 8°C
• Boiling Point: 80.7 °C at 760 mmHg
• PSA: 0.00000
• LogP: 1.26610
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexadiene iron tricarbonyl, 98% ^*data from reagent suppliers

Safty Information:

• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CYCLOHEXADIENE IRON TRICARBONYL

There total 58 articles about CYCLOHEXADIENE IRON 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: 99.0%

iron pentacarbonyl (13463-40-6,37220-42-1) + cyclohexa-1,3-diene (1165952-91-9) → (cyclohexa-1,3-diene)iron tricarbonyl (12152-72-6)

Guidance literature:

With catalyst: PhCH=CH-CH=N-C₆H₄(OMe-4); In 1,4-dioxane; Ar-atmosphere; refluxing soln. of Fe-complex, catalyst and cyclohexadiene (excess) for 45 h; evapn., chromy. (SiO2, pentane);

DOI:10.1021/om980290g

Reference yield: 98.0%

diiron nonacarbonyl (15321-51-4) + cyclohexa-1,3-diene (1165952-91-9) → (cyclohexa-1,3-diene)iron tricarbonyl (12152-72-6)

Guidance literature:

With catalyst: PhCH=CH-CH=N-C₆H₄(OMe-4); In 1,2-dimethoxyethane; Ar-atmosphere; refluxing soln. of Fe-complex, catalyst (0.125 equiv.) and cyclohexadiene (1.5 equiv.) for 16.5 h; evapn., chromy. (SiO2, pentane);

DOI:10.1021/om980290g

Reference yield: 95.0%

tricarbonyl[(1-4-η)-1-(4-methoxyphenyl)-4-phenyl-1-azabuta-1,3-diene]iron (38720-29-5) + cyclohexa-1,3-diene (1165952-91-9) → (cyclohexa-1,3-diene)iron tricarbonyl (12152-72-6)

Guidance literature:

In tetrahydrofuran; Ar atmosphere, addn. of THF and cylohexadiene to Fe complex, stirring (reflux, 120 min), cooling to room temp.; evapn. of solvent (vacuum), flash chromy. (silica gel, pentane);

DOI:10.1002/(SICI)1099-0682(199807)1998:7<993::AID-EJIC993>3.0.CO;2-6

upstream raw materials:

diiron nonacarbonyl

cyclohexa-1,3-diene

triiron dodecarbonyl

3,6-dibromo-1-cyclohexene

Downstream raw materials:

dicarbonyl(triphenylphosphine)(η(4)-cyclohexa-1,3-diene)iron

tricarbonyl bis(triphenylphosphine) iron

(cyclohexadiene)(CO)2iron((o-tolyl)3phosphine)

(As(C₆H₅)3)2Fe(CO)3

Refernces

• 1、 Kn?lker, Hans-Joachim,Baum, Elke,Gonser, Peter,Rohde, Guy,R?ttele, Herbert. "1,4-diaryl-1-azabuta-1,3-diene-catalyzed complexation of cyclohexa-1,3-diene by the tricarbonyliron fragment: Development of highly efficient catalysts, optimization of reaction conditions, and proposed mechanism". . p. 3916 - 3925. Retrieved 1998.
• 2、 Knoelker, Hans-Joachim,Baum, Gerhard,Foitzik, Norbert,Goesmann, Helmut,Gonser, Peter,Jones, Peter G.,Roettele, Herbert. "Synthesis, Molecular Structure, Fluxional Behavior, and Tricarbonyliron Transfer Reactions of (η4-1-Azabuta-1,3-diene)tricarbonyliron Complexes". . p. 993 - 1007. Retrieved 2007/10/03.