10420-90-3 Usage
Description
1,3-Hexadien-5-yne, also known as buta-1,3-dien-5-yne, is a chemical compound characterized by its molecular formula C6H8. 1,3-Hexadien-5-yne. features two conjugated double bonds and a terminal alkyne group, which endows it with unique properties and reactivity. Its versatile chemistry makes it a valuable compound for researchers and industry professionals in the field of organic chemistry.
Uses
Used in Organic Synthesis:
1,3-Hexadien-5-yne is utilized as a reactive intermediate in organic synthesis for its ability to participate in various chemical reactions such as hydrogenation, halogenation, and addition reactions. Its unique structure allows for the formation of new compounds with different functional groups, making it a valuable building block in the synthesis of complex organic molecules.
Used in Production of Other Organic Compounds:
1,3-Hexadien-5-yne is also employed in the production of other organic compounds, where its reactivity and unique structure contribute to the synthesis of a wide range of chemical products. Its ability to undergo various chemical transformations makes it a useful precursor in the creation of novel organic molecules with potential applications in various industries.
Used in Natural Products:
1,3-Hexadien-5-yne can be found in some natural products, where its presence may contribute to the biological activity or chemical properties of these substances. Its occurrence in natural products highlights the importance of understanding and harnessing the reactivity of this compound for potential applications in the development of new pharmaceuticals, fragrances, or other bioactive compounds.
Check Digit Verification of cas no
The CAS Registry Mumber 10420-90-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,4,2 and 0 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 10420-90:
(7*1)+(6*0)+(5*4)+(4*2)+(3*0)+(2*9)+(1*0)=53
53 % 10 = 3
So 10420-90-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H6/c1-3-5-6-4-2/h1,4-6H,2H2/b6-5+
10420-90-3Relevant articles and documents
The thermal decomposition of 5-membered rings: A laser pyrolysis study
Hore, Nathan R.,Russell, Douglas K.
, p. 606 - 613 (2007/10/03)
The mechanisms of pyrolysis of cyclopentadiene, furan, pyrrole and thiophene have been investigated using a combination of IR laser powered homogeneous pyrolysis, chemical and physical trapping of radical intermediates, and use of precursors specifically designed to generate selected radical intermediates. The results confirm the central role played by free radicals in the cases of cyclopentadiene and thiophene, and the dominant step of 1,2-H shifts in the cases of furan and pyrrole. The experimental results may be interpreted according to the high level ab initio calculations recently reported in the literature.
Formation of C6H6 Isomers by Recombination of Propynyl in the System Sodium Vapour/Propynylhalide
Alkemade, U.,Homann, K. H.
, p. 19 - 34 (2007/10/02)
2-Propynyl radicals (C3H3) were generated from the respective chloride or bromide by the reaction Na + C3H3X -> C3H3 + NaX in a low-pressure flow reactor fed by multislit-diffusion burner.The temperature range was 623 to 673 K and total pressures of 300 and 600 Pa were applied.Analyses were performed by nozzle beam/mass spectrometry and by gas chromatography/mass spectrometry.The rate constants of the primary reactions were determined as k(Na + C3H3Cl) = 1.6E13 and k(Na + C3H3Br) = 7.8E13 cm3 mol-1 s-1, independent of temperature within the above range.The overall recombination rate constant of 2-propynyl was found to be 3.4E13 cm3 mol-1 s-1.The recombination products of propynyl were 1,5-hexadiyne, 1,2-hexadien-5-yne and 1,2,4,5-hexatetraene.Besides these direct products also 1,3-hexadien-5-yne and benzene were detected in relatively high yields which decreased with increasing pressure.A reaction mechanism via a propynyl-cyclopropene intermediate by which the chemically activated primary recombination products can rearrange to benzene and 1,3-hexadien-5-yne is discussed. - Keywords: Reaction kinetics / Hydrocarbon radicals / Sodium reactions / Benzene formation
