628-41-1 Usage
Description
Cyclohexa-1,4-diene, also known as 1,4-cyclohexadiene, is an organic compound with the molecular formula C6H8. It is a diene, meaning it contains two carbon-carbon double bonds, and is known for its reactive nature due to its conjugated diene system. Cyclohexa-1,4-diene is characterized by its ability to undergo various chemical reactions, making it a versatile building block in organic synthesis.
Uses
Used in Organic Synthesis:
Cyclohexa-1,4-diene is used as a reagent for selectively cleaving benzyl esters in the presence of benzyl ethers through a catalytic hydrogen transfer process. This selective cleavage is valuable in organic synthesis for the targeted modification of complex molecules.
Used in Chemical Reactions:
In the presence of a ruthenium(II)-triphenylphosphine catalyst, Cyclohexa-1,4-diene forms benzene at elevated temperatures. This transformation is an example of how Cyclohexa-1,4-diene can be utilized in the synthesis of aromatic compounds, which are important in various chemical industries.
Used in Analytical Chemistry:
Cyclohexa-1,4-diene is employed in the study of the formation of parent ions from heavy fragmentation upon irradiation with a high-intensity laser pulse. This application is relevant in mass spectrometry and other analytical techniques, where understanding fragmentation patterns is crucial for the identification and analysis of complex molecules.
Used in Catalytic Hydrogenation:
Cyclohexa-1,4-diene serves as a very effective hydrogen donor in catalytic hydrogenation reactions. Its ability to donate hydrogen atoms facilitates the reduction of other compounds, making it a valuable component in various industrial processes that require hydrogenation steps.
Purification Methods
Dry the diene over CaCl2 and distil it in a vacuum under N2. [Hückel & W.rffel Chem Ber 88 338 1955, Giovannini & Wegmüller Helv Chim Acta 42 1142 1959.] [Beilstein 5 IV 385.]
Check Digit Verification of cas no
The CAS Registry Mumber 628-41-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 8 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 628-41:
(5*6)+(4*2)+(3*8)+(2*4)+(1*1)=71
71 % 10 = 1
So 628-41-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
628-41-1Relevant articles and documents
Photochemical Rearrangements of C6H8, C7H10, and C8H12 Radical Cations in Solid Argon at 20 K
Kelsall, Benuel J.,Andrews, Lester
, p. 2723 - 2729 (2007/10/02)
C6H8 radical cations have been produced by matrix photoionization techniques and trapped in solid argon.Electronic spectra show that two different types of products are formed; a conjugated diene cation with strong and weak absorption between 30000 and 20000 cm-1 and conjugated triene cations with a strong absorption between 28000 and 22000 cm-1 and weak absorptions between 18000 and 14000 cm-1.With selective photolysis in the high-energy bands, the conjugated triene cation geometric isomers were interconverted while the cyclic diene cations were ring opened to give conjugated triene cations.Similar experiments with cyclic and bicyclic C7H10 cations gave three conjugated heptatriene cation conformers, and cyclic C8H12 cations yielded a number of conjugated octatriene cation isomers.
