• 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

10-氰基-7-羟基-6-氧代-3-苯基-8,9,10,10a-四氢-6-苯并[]色烯-10-羧酸乙酯

Ethyl 10-cyano-7-hy-droxy-6-oxo-3-phenyl-8,9,10,10a-tetra-hydro-6-benzo[]chromene-10-carboxyl-ate.

作者信息

Surya Prakash Rao H, M Prabakaran, Muthukumaran Jayaraman

机构信息

Department of Chemistry, Pondicherry University, Puducherry 605014, India.

Vasista Pharma Chem Pvt Ltd, Gajularamaram, Hyderabad 500090, India.

出版信息

IUCrdata. 2022 Feb 25;7(Pt 2):x220199. doi: 10.1107/S2414314622001997. eCollection 2022 Feb.

DOI:10.1107/S2414314622001997
PMID:36340871
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9461999/
Abstract

In the title compound, CHNO, the cyano group adopts an axial orientation and the ester group an equatorial orientation. The dihedral angle between the pendant phenyl group and the benzene ring of the fused-ring system is 25.97 (8)°. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed and the packing is consolidated by C-H⋯O and C-H⋯π inter-actions.

摘要

在标题化合物CHNO中，氰基呈轴向取向，酯基呈赤道取向。侧链苯基与稠环体系的苯环之间的二面角为25.97 (8)°。观察到分子内的O-H⋯O和C-H⋯O氢键，并且通过C-H⋯O和C-H⋯π相互作用使堆积得以巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7596/9461999/d6a64c5e866c/x-07-x220199-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7596/9461999/4a9a8c67a01e/x-07-x220199-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7596/9461999/d6a64c5e866c/x-07-x220199-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7596/9461999/4a9a8c67a01e/x-07-x220199-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7596/9461999/d6a64c5e866c/x-07-x220199-fig2.jpg

相似文献

1
Ethyl 10-cyano-7-hy-droxy-6-oxo-3-phenyl-8,9,10,10a-tetra-hydro-6-benzo[]chromene-10-carboxyl-ate.10-氰基-7-羟基-6-氧代-3-苯基-8,9,10,10a-四氢-6-苯并[]色烯-10-羧酸乙酯
IUCrdata. 2022 Feb 25;7(Pt 2):x220199. doi: 10.1107/S2414314622001997. eCollection 2022 Feb.
2
Crystal structure of methyl 4-(4-hy-droxy-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate monohydrate.4-(4-羟基苯基)-6-甲基-2-氧代-1,2,3,4-四氢嘧啶-5-羧酸甲酯一水合物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Aug 26;72(Pt 9):1335-1338. doi: 10.1107/S2056989016013359. eCollection 2016 Sep 1.
3
(4R)-Ethyl 4-(4-chloro-phen-yl)-2-hydr-oxy-5-oxo-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.(4R)-4-(4-氯苯基)-2-羟基-5-氧代-2,3,4,5-四氢吡喃并[3,2-c]色烯-2-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 19;66(Pt 1):o217. doi: 10.1107/S1600536809051976.
4
Crystal structure and Hirshfeld surface analysis of ()-2-amino-4-(2,6-di-chloro-phen-yl)-5-(1-hy-droxy-ethyl-idene)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.（）-2-氨基-4-（2,6-二氯苯基）-5-（1-羟基亚乙基）-6-氧代-1-苯基-1,4,5,6-四氢吡啶-3-甲腈的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Aug 10;77(Pt 9):930-934. doi: 10.1107/S2056989021007994. eCollection 2021 Sep 1.
5
Ethyl 2-amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carboxyl-ate.2-氨基-4-（4-氟苯基）-6-甲氧基-4H-苯并[h]色烯-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1803-4. doi: 10.1107/S1600536812021939. Epub 2012 May 19.
6
Ethyl 4-(5-bromo-2-hy-droxy-phen-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.4-(5-溴-2-羟基苯基)-2,7,7-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 16;69(Pt 4):o541. doi: 10.1107/S1600536813006739. Print 2013 Apr 1.
7
Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yl-oxy)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxyl-ate.2-苯基-4-(丙-2-炔-1-基氧基)-5,6,7,8-四氢吡啶并[4',3':4,5]噻吩并[2,3-d]嘧啶-7-羧酸乙酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Oct 10;71(Pt 11):o836-7. doi: 10.1107/S2056989015018447. eCollection 2015 Nov 1.
8
Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hy-droxy-phen-yl)-3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodeca-hydro-acridin-10-yl]acetate.2-[9-(2-羟基苯基)-3,3,6,6-四甲基-1,8-二氧代-2,3,4,4a,5,6,7,8a,9,9a,10,10a-十二氢吖啶-10-基]乙酸乙酯的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Feb 12;77(Pt 3):247-250. doi: 10.1107/S2056989021001341. eCollection 2021 Mar 1.
9
Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxo-spiro-[indoline-3,4'-pyran]-5'-carboxyl-ate.2'-氨基-5-溴-3'-氰基-6'-甲基-2-氧代-螺[吲哚啉-3,4'-吡喃]-5'-羧酸乙酯的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2022 Aug 26;78(Pt 9):942-946. doi: 10.1107/S2056989022008271. eCollection 2022 Sep 1.
10
Crystal structures of three carbazole derivatives: 12-ethyl-7-phenyl-sulfonyl-7-benzofuro[2,3-]carbazole, (1), 2-(4,5-dimeth-oxy-2-nitro-phen-yl)-4-hy-droxy-9-phenyl-sulfonyl-9-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenyl-sulfonyl-7-benzofuro[2,3-]carbazole, (3).三种咔唑衍生物的晶体结构：12-乙基-7-苯基磺酰基-7-苯并呋喃并[2,3-]咔唑，（1）；2-（4,5-二甲氧基-2-硝基苯基）-4-羟基-9-苯基磺酰基-9-咔唑-3-甲醛，（2）；以及12-苯基-7-苯基磺酰基-7-苯并呋喃并[2,3-]咔唑，（3）。
Acta Crystallogr E Crystallogr Commun. 2016 Nov 4;72(Pt 12):1744-1750. doi: 10.1107/S2056989016016819. eCollection 2016 Dec 1.

本文引用的文献

1
Cascade Lactonization/Benzannulation of Propargylamines with Dimethyl 3-Oxoglutarate for Modular Assembly of Hydroxylated/Arene-Functionalized Benzo[]chromen-6-ones.偕二酮/苯并[g]色烯-6-酮的丙炔胺与二甲基 3-氧代戊二酸的级联内酯化/苯并环化反应用于羟化/芳基官能化苯并[g]色烯-6-酮的模块化组装。
Org Lett. 2021 Aug 20;23(16):6455-6460. doi: 10.1021/acs.orglett.1c02266. Epub 2021 Aug 3.
2
Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.生成和捕获缺电子 1,2-环己二烯。出乎意料的杂 Diels-Alder 反应性。
Org Biomol Chem. 2021 Jan 21;19(2):399-405. doi: 10.1039/d0ob02285c.
3
: from visualization to analysis, design and prediction.
从可视化到分析、设计与预测。
J Appl Crystallogr. 2020 Feb 1;53(Pt 1):226-235. doi: 10.1107/S1600576719014092.
4
validation ALERTS: what they mean and how to respond.验证警报：其含义及应对方法
Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):1-11. doi: 10.1107/S2056989019016244.
5
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
6
An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls.一种先进且新颖的一锅法，通过无过渡金属温和堿促进的取代 2-羟基查耳酮与β-酮酯的多米诺反应，合成多种苯并[c]色烯-6-酮及其在多取代三联苯中的应用。
Org Biomol Chem. 2014 Feb 14;12(6):919-30. doi: 10.1039/c3ob41800f.
7
One pot synthesis of bioactive benzopyranones through palladium-catalyzed C-H activation and CO insertion into 2-arylphenols.通过钯催化的C-H活化和CO插入2-芳基苯酚一步合成生物活性苯并吡喃酮
Chem Commun (Camb). 2013 Dec 28;49(100):11797-9. doi: 10.1039/c3cc47197g.
8
Alternariol 9-O-methyl ether.链格孢酚9 - O - 甲基醚
Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1471. doi: 10.1107/S1600536812015000. Epub 2012 Apr 21.
9
An open-label, dose-escalating phase I study of elsamitrucin (SPI 28090) in treatment of malignant solid tumors in dogs.一项在犬恶性实体瘤中进行的开放标签、剂量递增的 I 期研究，评估 elsamitrucin（SPI 28090）的疗效。
J Vet Intern Med. 2011 Jul-Aug;25(4):897-902. doi: 10.1111/j.1939-1676.2011.0752.x. Epub 2011 Jul 7.
10
Alternariol.
Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1366. doi: 10.1107/S1600536810017502.