4054-38-0 Usage
Description
1,3-Cycloheptadiene is a 1,3-cycloalkadiene, which is a type of organic compound characterized by the presence of two carbon-carbon double bonds in a cycloalkene structure. It is known for its highly strained structure and has been studied for its isomerization through double bond rotation and electrocyclic ring closure. Additionally, [1,5] sigmatropic hydrogen shifts in 1,3-cycloheptadiene have been investigated using density functional calculations.
Uses
1. Used in Organic Synthesis:
1,3-Cycloheptadiene is used as a key intermediate in the preparation of enantiopure epoxy cycloheptenyl sulfones. These compounds are important in the field of organic synthesis, particularly for the development of complex molecular structures and the synthesis of various pharmaceuticals and bioactive molecules.
2. Used in Chemical Research:
Due to its unique and highly strained structure, 1,3-cycloheptadiene serves as a valuable model compound for studying various chemical reactions and processes, such as isomerization, electrocyclic ring closure, and sigmatropic hydrogen shifts. These studies contribute to the understanding of reaction mechanisms and the development of new synthetic strategies in organic chemistry.
3. Used in Material Science:
The properties of 1,3-cycloheptadiene, such as its strained double bonds and potential for isomerization, make it an interesting candidate for the development of new materials with unique properties. Researchers may explore its potential applications in the design of novel polymers, advanced materials, and other industrial products.
Purification Methods
Purify the diene by dissolving it in Et2O, washing with 5% HCl, H2O, drying (MgSO4), evaporating, and the residue is distilled under dry N2 through a semi-micro column (some foaming occurs) [Cope et al. J Am Chem Soc 79 6287 1957, UV: Pesch & Friess J Am Chem Soc 72 5756 1950]. [Beilstein 5 IV 390.]
Check Digit Verification of cas no
The CAS Registry Mumber 4054-38-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,5 and 4 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4054-38:
(6*4)+(5*0)+(4*5)+(3*4)+(2*3)+(1*8)=70
70 % 10 = 0
So 4054-38-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
4054-38-0Relevant 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.
