Dataset of asymmetric intramolecular [4+3] cycloaddition reactions catalyzed by NHC-gold(I) complexes

被引：0
|
作者：
Ma, Ruoyu [1 ]
Yang, Jianbo [1 ]
Kelley, Steven [2 ]
Gung, Benjamin W. [1 ]
机构：
[1] Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA
[2] Univ Missouri, Elmer O Schlemper Xray Diffract Ctr, Columbia, MO 65211 USA
来源：
DATA IN BRIEF | 2019年 / 26卷
关键词：
NHC-gold(I) complexes; Cycloaddition; Enantioselective; DFT calculation;
D O I：
10.1016/j.dib.2019.104409
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
The shared data is the unpublished portion of the experimental section for the article with the title "NHC-Au(I) catalyzed enantioselective intramolecular [4 + 3] cycloaddition of furan propargyl esters".[1] The preparation of the intermediates for chiral NHC-gold(I) complexes and the furan propargyl ester substrates are included in this article. The H-1 NMR and C-13 NMR spectra of the gold complexes 17a-19c and the X-ray crystal data of 17a, 18a and cycloaddition product 24 are also provided in this article or in Mendeley Data. Finally, the chiral HPLC spectra used to determine enantiomeric excess and Cartesian coordinates of the optimized structure of 25 and 26 calculated by DFT calculation are also presented in the article. (C) 2019 The Author(s). Published by Elsevier Inc.
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页数：31
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