• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

4-(2-甲氧基苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二乙酯

Diethyl 4-(2-meth-oxy-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.

作者信息

Wang Ke, Wang Yifeng, Yao Minjie, Xu Danqian

机构信息

Catalytic Hydrogenation Research Center, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 24;69(Pt 5):o785. doi: 10.1107/S1600536813009951. Print 2013 May 1.

DOI:10.1107/S1600536813009951
PMID:23723929
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648309/
Abstract

In the title compound, C20H25NO5, the di-hydro-pyridine ring adopts a flattened boat conformation. The meth-oxy-phenyl ring is almost perpendicular to the mean plane of the pyridine ring [dihedral angle = 88.42 (3)°]. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the di-hydro-pyridine ring. In the crystal, mol-ecules are connected by N-H⋯O hydrogen bonds into R 4 (4)(24) tetra-meric rings. A region of disordered electron density, located at the center of four adjacent mol-ecules, was treated with the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. It is probably the result of traces of the solvent of crystallization and was not taken into account during the structure refinement.

摘要

在标题化合物C20H25NO5中,二氢吡啶环呈扁平船式构象。甲氧基苯基环几乎垂直于吡啶环的平均平面[二面角 = 88.42 (3)°]。两个羰基单元相对于二氢吡啶环中的双键呈顺叠构象。在晶体中,分子通过N—H⋯O氢键连接成R 4 (4)(24)四聚环。位于四个相邻分子中心的一个无序电子密度区域,用PLATON中的SQUEEZE程序[Spek (2009 ▶). Acta Cryst. D65, 148 - 155]进行了处理。它可能是结晶溶剂痕迹的结果,在结构精修过程中未予考虑。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f966/3648309/067ec7fa991f/e-69-0o785-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f966/3648309/3ecf858e1787/e-69-0o785-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f966/3648309/067ec7fa991f/e-69-0o785-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f966/3648309/3ecf858e1787/e-69-0o785-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f966/3648309/067ec7fa991f/e-69-0o785-fig2.jpg

相似文献

1
Diethyl 4-(2-meth-oxy-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.4-(2-甲氧基苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 24;69(Pt 5):o785. doi: 10.1107/S1600536813009951. Print 2013 May 1.
2
Crystal structure of 7'-(4-chloro-phen-yl)-2''-(4-meth-oxy-phen-yl)-7',7a',7'',8''-tetra-hydro-1',3',5''-di-spiro-[indoline-3,5'-pyrrolo-[1,2-]thia-zole-6',6''-quinoline]-2,5''-dione and an unknown solvent.7'-(4-氯苯基)-2''-(4-甲氧基苯基)-7',7a',7'',8''-四氢-1',3',5''-二螺-[吲哚啉-3,5'-吡咯并-[1,2-]噻唑-6',6''-喹啉]-2,5''-二酮与一种未知溶剂的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jan 11;75(Pt 2):189-193. doi: 10.1107/S2056989019000112. eCollection 2019 Feb 1.
3
Crystal structures of three 1-oxo-1,2-di-hydro-naphthalene derivatives: dimethyl 4-(4-meth-oxy-phen-yl)-2-(4-methyl-phen-yl)-1-oxo-1,2-di-hydro-naphthalene-2,3-di-carboxyl-ate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thio-phen-2-yl)-1,2-di-hydro-naphthalene-2,3-di-carboxyl-ate and ethyl 1-oxo-2-phenyl-2,4-bis-(thio-phen-2-yl)-1,2-di-hydro-naphthalene-3-carboxyl-ate.三种1-氧代-1,2-二氢萘衍生物的晶体结构:4-(4-甲氧基苯基)-2-(4-甲基苯基)-1-氧代-1,2-二氢萘-2,3-二羧酸二甲酯、1-氧代-2-(芘-4-基)-4-(噻吩-2-基)-1,2-二氢萘-2,3-二羧酸二甲酯和1-氧代-2-苯基-2,4-双(噻吩-2-基)-1,2-二氢萘-3-羧酸乙酯。
Acta Crystallogr E Crystallogr Commun. 2017 Jan 13;73(Pt 2):177-182. doi: 10.1107/S2056989017000469. eCollection 2017 Feb 1.
4
4-Meth-oxy-N-[(4-methyl-phen-yl)sulfon-yl]benzamide including an unknown solvate.4-甲氧基-N-[(4-甲基苯基)磺酰基]苯甲酰胺,含一种未知溶剂化物。
Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 19;69(Pt 11):o1664-5. doi: 10.1107/S1600536813028158.
5
Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.4-[4-(二氟甲氧基)苯基]-2,7,7-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸甲酯、4-[4-(二氟甲氧基)苯基]-2,6,6-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸异丙酯和4-[4-(二氟甲氧基)苯基]-2,6,6-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸丁酯的合成、表征、晶体结构及 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2024 Feb 8;80(Pt 3):281-288. doi: 10.1107/S2056989024001233. eCollection 2024 Mar 1.
6
Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-tri-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.6-甲基-2-氧代-4-(3,4,5-三甲氧基苯基)-1,2,3,4-四氢嘧啶-5-羧酸乙酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Feb 25;71(Pt 3):o206-7. doi: 10.1107/S2056989015003576. eCollection 2015 Mar 1.
7
An unknown solvate of 1-(2,4-di-chloro-benz-yl)-4-[(4-methyl-phen-yl)sulfon-yl]piperazine.1-(2,4-二氯苄基)-4-[(4-甲基苯基)磺酰基]哌嗪的一种未知溶剂化物。
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 24;69(Pt 5):o782. doi: 10.1107/S160053681301012X. Print 2013 May 1.
8
Crystal structure of 10-benzyl-9-(3,4-di-meth-oxy-phen-yl)-3,3,6,6-tetra-methyl-3,4,6,7,9,10-hexa-hydro-acridine-1,8(2H,5H)-dione.10-苄基-9-(3,4-二甲氧基苯基)-3,3,6,6-四甲基-3,4,6,7,9,10-六氢吖啶-1,8(2H,5H)-二酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Aug 26;71(Pt 9):o688-9. doi: 10.1107/S2056989015014966. eCollection 2015 Sep 1.
9
2-(2-Chloro-phen-yl)-N-cyclo-hexyl-2-oxoacetamide.2-(2-氯苯基)-N-环己基-2-氧代乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o505. doi: 10.1107/S1600536813005904. Print 2013 Apr 1.
10
4-(4-Bromo-phen-yl)-7,7-dimethyl-2-methyl-amino-3-nitro-7,8-di-hydro-4H-chromen-5(6H)-one including an unknown solvate.4-(4-溴苯基)-7,7-二甲基-2-甲氨基-3-硝基-7,8-二氢-4H-色烯-5(6H)-酮,包含一种未知溶剂化物。
Acta Crystallogr Sect E Struct Rep Online. 2014 Apr 18;70(Pt 5):o579-80. doi: 10.1107/S1600536814007983. eCollection 2014 May 1.

引用本文的文献

1
PyTMs: a useful PyMOL plugin for modeling common post-translational modifications.PyTMs:一个用于模拟常见翻译后修饰的实用PyMOL插件。
BMC Bioinformatics. 2014 Nov 28;15(1):370. doi: 10.1186/s12859-014-0370-6.

本文引用的文献

1
Diisobutyl 4-(3-eth-oxy-4-hy-droxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.4-(3-乙氧基-4-羟基苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二异丁酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o287-8. doi: 10.1107/S1600536811055334. Epub 2012 Jan 7.
2
Diisopropyl 1-(4-meth-oxy-phen-yl)-2,6-dimethyl-4-(3-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.1-(4-甲氧基苯基)-2,6-二甲基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸二异丙酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2979. doi: 10.1107/S1600536811042073. Epub 2011 Oct 22.
3
Structure validation in chemical crystallography.
化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
5
Organocatalytic enantioselective one-pot synthesis and application of substituted 1,4-dihydropyridines--Hhantzsch ester analogues.有机催化对映选择性一锅法合成及取代1,4-二氢吡啶(汉茨sch酯类似物)的应用
Chem Asian J. 2008 Feb 1;3(2):216-24. doi: 10.1002/asia.200700360.