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1,4-双(1,1-二甲基丙基)-2,5-二甲氧基苯

1,4-Bis(1,1-dimethyl-prop-yl)-2,5-dimeth-oxy-benzene.

作者信息

Amimoto Kiichi

机构信息

Department of Science Education, Graduate School of Education, Hiroshima University, 1-1-1 Kagamiyama, Higashi-Hiroshima, Hiroshima, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2708. doi: 10.1107/S160053681103772X. Epub 2011 Sep 30.

DOI:10.1107/S160053681103772X
PMID:22058795
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3201239/
Abstract

The title compound, C(18)H(30)O(2), was prepared by Friedel-Crafts alkyl-ation of 1,4-dimeth-oxy-benzene with 2-methyl-2-butanol. The complete mol-ecule is generated by the application of a crystallographic centre of inversion. The two meth-oxy groups are oriented in the same plane of the aromatic ring [C-C-O-C torsion angle = 9.14 (16)°]. While one methyl group of the tert-pentyl substituent is coplanar with the benzene ring [C-C-C-C = 0.45 (15)°] and lies towards the less-hindered H atom, the other methyl and ethyl groups are directed to either side of the benzene ring [C-C-C-C torsion angles = 118.78 (12) and 59.11 (14)°, respectively]. In the crystal, the hydro-phobic mol-ecules pack to form a brick-wall-like architecture.

摘要

标题化合物C(18)H(30)O(2)是通过1,4-二甲氧基苯与2-甲基-2-丁醇的傅克烷基化反应制备的。整个分子由一个晶体学倒转中心生成。两个甲氧基位于芳香环的同一平面内[C-C-O-C扭转角 = 9.14 (16)°]。叔戊基取代基的一个甲基与苯环共面[C-C-C-C = 0.45 (15)°],且朝向位阻较小的氢原子,而另一个甲基和乙基则指向苯环的两侧[C-C-C-C扭转角分别为118.78 (12)°和59.11 (14)°]。在晶体中,疏水分子堆积形成类似砖墙的结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0058/3201239/964e58b80426/e-67-o2708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0058/3201239/917b0031c9f7/e-67-o2708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0058/3201239/964e58b80426/e-67-o2708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0058/3201239/917b0031c9f7/e-67-o2708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0058/3201239/964e58b80426/e-67-o2708-fig2.jpg

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