Structure and Conformational Analysis of 5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane

Sh. Yu. Khazhiev; M. A. Khusainov; R. A. Khalikov; T. V. Tyumkina; E. S. Meshcheryakova; L. M. Khalilov; V. V. Kuznetsov

doi:10.1134/S1070363218030040

Structure and Conformational Analysis of 5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane

作者: Khazhiev S.¹, Khusainov M.¹, Khalikov R.², Tyumkina T.³, Meshcheryakova E.³, Khalilov L.³, Kuznetsov V.¹^,4
隶属关系:
1. Ufa State Petroleum Technological University
2. Bashkirian State Medical University
3. Institute of Petrochemistry and Catalysis
4. Ufa State Aviation Technical University
期: 卷 88, 编号 3 (2018)
页面: 397-402
栏目: Article
URL: https://journals.rcsi.science/1070-3632/article/view/222041
DOI: https://doi.org/10.1134/S1070363218030040
ID: 222041

如何引用文章

全文:

开放存取

##reader.subscriptionAccessGranted##
受限制的访问

订阅存取

详细
作者简介
参考
统计

详细

The structure of 5,5-bis(bromomethyl)-2-phenyl-1,3-dioxane was investigated by the methods of 1Н, ¹³С NMR spectroscopy and X-ray analysis. The molecule exists in the chair conformation with the equatorial phenyl group. The routes of interconversion of the ring, free conformational energy and optimal conformation of the phenyl group were determined using computer modeling by the method of DFT (PBE/3ξ). The results are consistent with the data of X-ray analysis.