(eta-1,3-Butadiene)tricarbonyliron

Base Information

• Chemical Name: (eta-1,3-Butadiene)tricarbonyliron
• CAS No.: 12078-32-9
• Molecular Formula: C₇H₆FeO₃
• Molecular Weight: 193.97
• Mol file: 12078-32-9.mol

Synonyms:(eta-1,3-Butadiene)tricarbonyliron;EINECS 235-140-3;NSC 58462;Iron, (eta4-1,3-butadiene)tricarbonyl-, stereoisomer;LS-84228

Chemical Property of (eta-1,3-Butadiene)tricarbonyliron

Chemical Property:

• Vapor Pressure: 1920mmHg at 25°C
• Melting Point: 19 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 1.24340
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.935329
• Heavy Atom Count: 11
• Complexity: 12

Purity/Quality:

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

1 3-BUTADIENE IRON TRICARBONYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH][C][C][CH].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Technology Process of (eta-1,3-Butadiene)tricarbonyliron

There total 21 articles about (eta-1,3-Butadiene)tricarbonyliron 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: 38.0%

iron pentacarbonyl (13463-40-6,37220-42-1) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → (η4-1,3-butadiene)iron tricarbonyl (12078-32-9,71435-61-5,522611-42-3,139687-42-6)

Guidance literature:

In pentane; Irradiation (UV/VIS); (Ar); irradn. of a soln. of iron complex in pentane with ligand at 25°C with Hg lamp; evapn., vac. distn. at 40°C, redistn. using concentric tube column;

DOI:10.1021/om020785c

Reference yield: 37.0%

iron pentacarbonyl (13463-40-6,37220-42-1) + (Z)-but-2-ene-1,4-diyl tetraethyl bis(phosphate) (99430-60-1) → tricarbonyl(η(4)-buta-1,3-diene)iron (522611-42-3,12078-32-9,139687-42-6,71435-61-5)

Guidance literature:

With potassium hydroxide; In ethanol; to a soln. of K2Fe(CO)4, prepd. from Fe(CO)5 and KOH in EtOH, was addeddropwise allyl phosphate, mixt. was stirred at room temp. for 1 h; reaction mixt. was poured into water, extd. with light petroleum, exts.were dried (Na2SO4), concd., residue chromd. on SiO2 (light petroleum);identified by spectral data;

DOI:10.1016/0022-328X(85)80072-3

Reference yield:

2,2,2,2-tetracarbonyl-1,1-dimethyl-1-sila-2-ferracyclopentane (39114-08-4) → iron pentacarbonyl (13463-40-6,37220-42-1) + tricarbonyl(η(4)-buta-1,3-diene)iron (522611-42-3,12078-32-9,139687-42-6,71435-61-5)

Guidance literature:

With buta-1,3-diene; In pentane; Irradiation (UV/VIS); sealed tube, 21°C, 24 h, then UV-irradiation; distn. of volatiles (vac.); IR and (1)H-NMR spectroscopy;

DOI:10.1039/DT9780000665

upstream raw materials:

iron pentacarbonyl

(Z)-but-2-ene-1,4-diyl tetraethyl bis(phosphate)

tetrafluoroboric acid diethyl ether

buta-1,3-diene

Downstream raw materials:

iron

Fe*CH₂CHCHCH₂*2CO*N₂=(CH₂CHCHCH₂)Fe(CO)2(N₂)

CH₂CHCHCH₂*Fe*3CO*N₂=(CH₂CHCHCH₂)Fe(CO)3(N₂)

{dicarbonyl(η4-1,3-butadiene)iron}