• 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'-苄基-2,2'-二甲基-1,3-二氧代-2,3-二氢-1H,4'H-螺[异喹啉-4,5'-恶唑]-4'-羧酸甲酯

Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Huang Chengmei, Yu Haitao

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1517-8. doi: 10.1107/S160053681101899X. Epub 2011 May 25.

DOI:10.1107/S160053681101899X
PMID:21754882
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120312/
Abstract

In the isoquinoline ring system of the title mol-ecule, C(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The least-squares plane of the dioxa-2-aza-spiro ring [maximum deviation = 0.076 (1) Å] and forms a dihedral angle of 14.54 (4)° with the phenyl ring. In the crystal, mol-ecules are linked via inter-molecular C-H⋯O hydrogen bonds into layers parallel to (100).

摘要

在标题分子C(22)H(20)N(2)O(5)的异喹啉环系统中，N-杂环呈半船式构象。二氧杂-2-氮杂螺环的最小二乘平面[最大偏差 = 0.076 (1) Å] 与苯环形成14.54 (4)°的二面角。在晶体中，分子通过分子间C-H⋯O氢键连接成平行于(100)的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ea2/3120312/c6baee087541/e-67-o1517-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ea2/3120312/e5605fabb7f4/e-67-o1517-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ea2/3120312/c6baee087541/e-67-o1517-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ea2/3120312/e5605fabb7f4/e-67-o1517-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ea2/3120312/c6baee087541/e-67-o1517-fig2.jpg

相似文献

1
Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.4'-苄基-2,2'-二甲基-1,3-二氧代-2,3-二氢-1H,4'H-螺[异喹啉-4,5'-恶唑]-4'-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1517-8. doi: 10.1107/S160053681101899X. Epub 2011 May 25.
2
Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.4'-异丁基-2,2'-二甲基-1,3-二氧代-2,3-二氢-1H,4'H-螺[异喹啉-4,5'-恶唑]-4'-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1519-20. doi: 10.1107/S1600536811019003. Epub 2011 May 25.
3
Methyl 2,2'-dimethyl-4'-[2-(methyl-sulfan-yl)eth-yl]-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[isoquinoline-4,5'-oxazole]-4'-carboxyl-ate.2,2'-二甲基-4'-[2-(甲基硫烷基)乙基]-1,3-二氧代-2,3-二氢-1H,4'H-螺[异喹啉-4,5'-恶唑]-4'-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2216-7. doi: 10.1107/S1600536811030133. Epub 2011 Aug 2.
4
1-Benzyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.1-苄基-5-甲氧基-2',3-二甲基-4,6-二氧杂-2-氮杂-螺-[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1',3'(2'H,4'H)-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1311-2. doi: 10.1107/S160053681101600X. Epub 2011 May 7.
5
2'-Methyl-3,5-diphenyl-spiro-[4,6-dioxa-2-aza-bicyclo-[3.2.0]hept-2-ene-7,4'-iso-quinoline]-1',3'(2'H,4'H)-dione.2'-甲基-3,5-二苯基-螺-[4,6-二氧杂-2-氮杂-双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1',3'(2'H,4'H)-二酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 13;66(Pt 4):o803-4. doi: 10.1107/S1600536810008718.
6
(1S*,4'S*,5R*)-1-Isopropyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.（1S*，4'S*，5R*）-1-异丙基-5-甲氧基-2'，3-二甲基-4，6-二氧杂-2-氮杂-螺-[双环-[3.2.0]庚-2-烯-7，4'-异喹啉]-1'，3'（2'H，4'H）-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1271-2. doi: 10.1107/S1600536811015315. Epub 2011 Apr 29.
7
(1S*,4'S*,5R*)-1-Isobutyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.（1S*，4'S*，5R*）-1-异丁基-5-甲氧基-2'，3-二甲基-4,6-二氧杂-2-氮杂-螺[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1'，3'（2'H，4'H）-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1273-4. doi: 10.1107/S1600536811015327. Epub 2011 Apr 29.
8
(5R)-Ethyl 6-benzyl-8,8-dimethyl-7,9-dioxo-1-oxa-2,6-diaza-spiro-[4.4]non-2-ene-3-carboxyl-ate.(5R)-6-苄基-8,8-二甲基-7,9-二氧代-1-氧杂-2,6-二氮杂-螺-[4.4]壬-2-烯-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 28;65(Pt 11):o2888-9. doi: 10.1107/S1600536809042433.
9
5-Meth-oxy-1,2',3-trimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.5-甲氧基-1,2',3-三甲基-4,6-二氧杂-2-氮杂-螺-[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1',3'(2'H,4'H)-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1340-1. doi: 10.1107/S1600536811016266. Epub 2011 May 7.
10
Ethyl 2-amino-7,7-dimethyl-2',5-dioxo-spiro-[5,6,7,8-tetra-hydro-4H-chromene-4,3'(2'H)-1H-indole]-3-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 9;66(Pt 2):o302. doi: 10.1107/S1600536809055809.

本文引用的文献

1
5-Meth-oxy-1,2',3-trimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.5-甲氧基-1,2',3-三甲基-4,6-二氧杂-2-氮杂-螺-[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1',3'(2'H,4'H)-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1340-1. doi: 10.1107/S1600536811016266. Epub 2011 May 7.
2
1-Benzyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.1-苄基-5-甲氧基-2',3-二甲基-4,6-二氧杂-2-氮杂-螺-[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1',3'(2'H,4'H)-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1311-2. doi: 10.1107/S160053681101600X. Epub 2011 May 7.
3
(1S*,4'S*,5R*)-1-Isobutyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.
（1S*，4'S*，5R*）-1-异丁基-5-甲氧基-2'，3-二甲基-4,6-二氧杂-2-氮杂-螺[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1'，3'（2'H，4'H）-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1273-4. doi: 10.1107/S1600536811015327. Epub 2011 Apr 29.
4
(1S*,4'S*,5R*)-1-Isopropyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.（1S*，4'S*，5R*）-1-异丙基-5-甲氧基-2'，3-二甲基-4，6-二氧杂-2-氮杂-螺-[双环-[3.2.0]庚-2-烯-7，4'-异喹啉]-1'，3'（2'H，4'H）-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1271-2. doi: 10.1107/S1600536811015315. Epub 2011 Apr 29.
5
Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.基于异喹啉-1,3,4-三酮与恶唑的光环加成反应的螺异喹啉的简便合成。
Org Biomol Chem. 2011 May 21;9(10):3629-31. doi: 10.1039/c1ob05143a. Epub 2011 Apr 6.
6
Enantioselective synthesis of substituted oxindoles and spirooxindoles with applications in drug discovery.用于药物研发的取代氧化吲哚和螺环氧化吲哚的对映选择性合成。
Curr Opin Drug Discov Devel. 2010;13(6):758-76.
7
Photoinduced [4 + 4], [4 + 2], and [2 + 2] cycloadditions of o-quinones with oxazoles: chemo-, regio-, and diastereoselectivity.光照诱导的邻醌与恶唑的[4 + 4]、[4 + 2]和[2 + 2]环加成：化学、区域和立体选择性。
J Org Chem. 2010 Nov 19;75(22):7757-68. doi: 10.1021/jo101764f. Epub 2010 Oct 28.
8
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.
9
Isoquinoline-1,3,4-trione derivatives inactivate caspase-3 by generation of reactive oxygen species.异喹啉-1,3,4-三酮衍生物通过产生活性氧使半胱天冬酶-3失活。
J Biol Chem. 2008 Oct 31;283(44):30205-15. doi: 10.1074/jbc.M803347200. Epub 2008 Sep 2.
10
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.