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Biethylene iron tricarbonyl, also known as bis(ethene)iron tricarbonyl, is a coordination complex consisting of an iron atom coordinated to two ethene molecules and three carbon monoxide ligands. It is widely used as a catalyst in organic synthesis, particularly in the hydroformylation of alkenes to produce aldehydes. BIETHYLENE IRON TRICARBONYL is known for its ability to facilitate the insertion of carbon monoxide into the alkene C-H bond, leading to the formation of aldehyde products. Biethylene iron tricarbonyl is a key component in the industrial production of various chemicals and pharmaceuticals and is also used as a research reagent in organometallic chemistry and catalysis studies.

12078-32-9

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12078-32-9 Usage

Uses

Used in Chemical Industry:
Biethylene iron tricarbonyl is used as a catalyst for the hydroformylation of alkenes to produce aldehydes. It facilitates the insertion of carbon monoxide into the alkene C-H bond, leading to the formation of aldehyde products, which are important intermediates in the synthesis of various chemicals and pharmaceuticals.
Used in Pharmaceutical Industry:
Biethylene iron tricarbonyl is used as a key component in the industrial production of various pharmaceuticals. Its ability to catalyze the hydroformylation of alkenes allows for the synthesis of aldehyde intermediates, which are essential in the production of a wide range of pharmaceutical compounds.
Used in Organometallic Chemistry Research:
Biethylene iron tricarbonyl is used as a research reagent in organometallic chemistry. Its unique structure and catalytic properties make it an important compound for studying the mechanisms and applications of organometallic complexes in various chemical reactions.
Used in Catalysis Studies:
Biethylene iron tricarbonyl is used in catalysis studies to investigate its catalytic properties and potential applications in various chemical processes. Its ability to facilitate the insertion of carbon monoxide into the alkene C-H bond makes it a valuable tool for understanding and optimizing catalytic reactions in the field of catalysis.

Check Digit Verification of cas no

The CAS Registry Mumber 12078-32-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,2,0,7 and 8 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 12078-32:
(7*1)+(6*2)+(5*0)+(4*7)+(3*8)+(2*3)+(1*2)=79
79 % 10 = 9
So 12078-32-9 is a valid CAS Registry Number.
InChI:InChI=1/C4H10.3CO.Fe/c1-3-4-2;3*1-2;/h3-4H2,1-2H3;;;;

12078-32-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Iron, (h4-1,3-butadiene)tricarbonyl-

1.2 Other means of identification

Product number -
Other names Butadiene tricarbonyl iron

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:12078-32-9 SDS

12078-32-9Relevant academic research and scientific papers

IR LASER PYROLYSIS AND THE ISOTOPIC LABELLING OF ORGANOMETALLIC COMPOUNDS

Bristow, Neil J.,Moore, Barry D.,Poliakoff, Martyn,Ryott, Graham J.,Turner, James J.

, p. 181 - 188 (1984)

A homogeneous gas phase pyrolysis technique involving SF6 sensitization and a continuous wave (CW) CO2 laser, is described for preparing small quantities (ca. 100 mg) of organometallic compounds.Several reactions have been successfully carried out and the synthesis of Os(CO)5 from H2Os(CO)4 and CO is discussed in detail.With IR laser pyrolysis, room temperature reactors and sub-atmospheric pressures can be used for reactions which normally require high pressures and temperatures.

A novel facet of carbonyliron-diene photochemistry: The η4-s-trans isomer of the classical Fe(CO)3(η4-s-cis-1,3-butadiene) discovered by time-resolved IR spectroscopy and theoretically examined by density functional methods

Bachler, Vinzenz,Grevels, Friedrich-Wilhelm,Kerpen, Klaus,Olbrich, Gottfried,Schaffner, Kurt

, p. 1696 - 1711 (2008/10/08)

The photolysis of Fe(CO)3(η4-s-cis-1,3-butadiene) (1) and Fe(CO)4(η2-1,3-butadiene) (2), formerly studied in low-temperature matrixes, is reexamined in cyclohexane solution at ambient temperature using time-resolved IR spectroscopy in the v(CO) region. Flash photolysis of 2 (λexc = 308 nm) generates Fe(CO)3(η4-s-trans-1,3-butadiene) (5) as a transient product, which then rearranges to form the classical η4-s-cis-1,3-butadiene complex 1. Species 5, previously addressed as the coordinately unsaturated Fe(CO)3(η2-1,3-butadiene) (3), is also photogenerated from 1, in this case along with the very short-lived CO loss fragment Fe(CO)2(η4-1,3-butadiene) (τ ? = 17.3 kcal·mol-1) with nearly complete recovery of 1. According to density functional calculations at the BP86 level of theory, 5 resides in a distinct energy minimum, 20.3 kcal·mol-1 above 1 and separated from it by a barrier of 15.0 kcal·mol-1. Its computed structure involves a diene dihedral angle of 129°. Species 3 (with a diene dihedral angle of -150.1°), by contrast, is predicted to exist in a rather flat minimum, which makes it too short-lived for detection with our instrumentation. Flash photolysis of Fe(CO)5 generates the very short-lived (3(solv) species in addition to the familiar Fe(CO)4(solv) fragment (τ = 10-15 μs), Fe2(CO)9 being the ultimate product in the absence of potential trapping agents other than CO. Deliberate contamination of the system with water gives rise to the formation of Fe(CO)4(H2O) as a longer lived transient (ca. 1 ms). In the presence of 1,3-butadiene, both 2 and 5 appear almost instantaneously. The latter decays, again in the millisecond time range, with formation of 1, thus providing clear evidence of a single-photon route from Fe(CO)5 to 1 in addition to the established two-photon sequence via the monosubstituted complex 2.

Synthesis of cationic allyl- and dienecarbonyl complexes of group VI-VIII metals in the presence of strong protonic acid

Krivykh, V. V.,Gusev, O. V.,Rybinskaya, M. I.

, p. 351 - 362 (2007/10/02)

Cationic allylcarbonyl complexes of Cr, Mo, W, Mn, Re, Fe, Co, Rh and Ir are synthesized by reaction of a carbonyl-containing compound with allyl alcohol or conjugated diene in the presence of strong protonic acid.This reaction is promoted by an increase in basicity of the initial complex and an increase in acidity of the medium; the nature of the organic substrate is also important for synthesis of this type of carbonyl complex.Cationic diene complexes have been formed by the action of dienes and acid on compounds with a metal-metal bond or on neutral allyl complexes.

FORMATION OF 1,3-DIENETRICARBONYLIRON COMPLEXES FROM THE REACTION OF DIPOTASSIUM TETRACARBONYLFERRATE WITH ALLYLIC COMPOUNDS

Butsugan, Yasuo,Yamashita, Akihiko,Araki, Shuki

, p. 103 - 108 (2007/10/02)

The reaction of dipotassium tetracarbonylferrate with various allylic phosphates and halides gives 1,3-dienetricarbonyliron complexes.The formation of the complexes is highly stereoselective depending on the geometry of the allylic compounds used.

Low-temperature matrix photochemistry of (1,3-diene)tricarbonyliron complexes

Ellerhorst, Gabriele,Gerhartz, Wolfgang,Grevels, Friedrich-Wilhelm

, p. 67 - 71 (2008/10/08)

UV photolysis of (η4-2,3-dimethylbutadiene)Fe(CO)3 and (η4-butadiene)Fe(CO)3 in inert matrices at 10 K was monitored by IR and UV spectroscopy. Elimination of CO is the predominant photoreaction. In the latter case we also observed the decomplexation of the butadiene ligand and hence the formation of (η2-butadiene)Fe(CO)3. This product is also obtained during the photolysis of (η2-butadiene)Fe(CO)4 which is subsequently transformed to (η4-butadiene)Fe(CO)3. For comparison, (η2-ethylene)Fe(CO)4 and (η2-1,3-cyclohexadiene)Fe(CO)4 were photolyzed under analogous conditions. Photolysis of (η4-1,3-diene)Fe(CO)3 complexes in nitrogen matrices gives (η4-1,3-diene)Fe(CO)2N2; formation of (η2-butadiene)Fe(CO)3N2 from (η2-butadiene)Fe(CO)4 requires annealing of the nitrogen matrix subsequent to irradiation.

THE USE OF POLYMERS AS MATRICES FOR ORGANOMETALLIC PHOTOCHEMICAL REACTIONS

Paoli, Marco-A. De,Oliveira, Sonia M. De,Galembeck, Fernando

, p. 105 - 110 (2007/10/02)

A matrix technique for the study of photochemical preparation of unstable and air-sensitive organometallic compounds is described.The matrix used is a film of inert polymer, such as polytetrafluorethylene (PTFE).The films containing the compounds can be handled under normal ambient conditions.The method is used to study the products and photochemical reactions of pentacarbonyliron with olefins.

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