• 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

1-(2-溴丙酰基)-4-羟基-2,6-二苯基-1,2,5,6-四氢吡啶-3-羧酸乙酯

Ethyl 1-(2-bromo-propano-yl)-4-hydr-oxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxylate.

作者信息

Aridoss G, Gayathri D, Velmurugan D, Kim M S, Jeong Yeon Tae

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1708-9. doi: 10.1107/S1600536809023836.

DOI:10.1107/S1600536809023836
PMID:21582960
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969390/
Abstract

The title compound, C(23)H(24)BrNO(4), crystallizes with two independent mol-ecules per asymmetric unit. The methyl group of the ethoxy-carbonyl unit is disordered over two positions, with occupancies of 0.715 (12) and 0.285 (12) in one of the independent mol-ecules, and 0.529 (11) and 0.471 (11) in the other mol-ecule. In one of the independent mol-ecules, the tetra-hydro-pyridine ring adopts a half-chair conformation, while in the other it is in a distorted envelope conformation. In each independent mol-ecule, an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The two independent mol-ecules are linked via C-H⋯O hydrogen bonds, forming a chain along the c axis.

摘要

标题化合物C(23)H(24)BrNO(4)，每个不对称单元含有两个独立分子。在一个独立分子中，乙氧羰基单元的甲基在两个位置上无序分布，占有率分别为0.715 (12) 和0.285 (12)；在另一个分子中，占有率分别为0.529 (11) 和0.471 (11)。在一个独立分子中，四氢吡啶环呈半椅式构象，而在另一个分子中则呈扭曲的信封式构象。在每个独立分子中，分子内O-H⋯O氢键形成一个S(6)环 motif。两个独立分子通过C-H⋯O氢键相连，沿c轴形成一条链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b15/2969390/f2c4739e3ab8/e-65-o1708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b15/2969390/ba1d85f2b6fa/e-65-o1708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b15/2969390/f2c4739e3ab8/e-65-o1708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b15/2969390/ba1d85f2b6fa/e-65-o1708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b15/2969390/f2c4739e3ab8/e-65-o1708-fig2.jpg

相似文献

1
Ethyl 1-(2-bromo-propano-yl)-4-hydr-oxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxylate.1-(2-溴丙酰基)-4-羟基-2,6-二苯基-1,2,5,6-四氢吡啶-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1708-9. doi: 10.1107/S1600536809023836.
2
3-Ethyl 5-methyl 2-hydr-oxy-6-methyl-4-(4-nitro-phen-yl)-2-trifluoro-methyl-1,2,3,4-tetra-hydro-pyridine-3,5-dicarboxyl-ate.3-乙基 5-甲基 2-羟基-6-甲基-4-(4-硝基苯基)-2-三氟甲基-1,2,3,4-四氢吡啶-3,5-二羧酸酯
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 9;64(Pt 9):o1737. doi: 10.1107/S1600536808024835.
3
Dimethyl-ammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa-hydro-1H-xanthen-9-yl)cyclo-hex-1-enolate 9-(2-hydr-oxy-4,4-dimethyl-6-oxocyclo-hex-1-en-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione n-hexane hemisolvate monohydrate.5,5 - 二甲基 - 3 - 氧代 - 2 -（3,3,6,6 - 四甲基 - 1,8 - 二氧代 - 2,3,4,5,6,7,8,9 - 八氢 - 1H - 占吨 - 9 - 基）环己 - 1 - 烯醇二甲铵 9 -（2 - 羟基 - 4,4 - 二甲基 - 6 - 氧代环己 - 1 - 烯基）- 3,3,6,6 - 四甲基 - 3,4,5,6,7,9 - 六氢 - 1H - 占吨 - 1,8(2H) - 二酮正己烷半溶剂合物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o470-1. doi: 10.1107/S1600536810003107.
4
Ethyl 4-hy-droxy-2,6-diphenyl-1-(2-thio-morpholino-acet-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.4-羟基-2,6-二苯基-1-(2-硫代吗啉代乙酰基)-1,2,5,6-四氢吡啶-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 10;66(Pt 8):o1982. doi: 10.1107/S1600536810026413.
5
2-(5-Bromo-pyridin-3-yl)-5-[3-(4,5,6,7-tetra-hydro-thieno[3,2-c]pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole.2-(5-溴吡啶-3-基)-5-[3-(4,5,6,7-四氢噻吩并[3,2-c]吡啶-5-基磺酰基)硫代苯-2-基]-1,3,4-恶二唑
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2743-4. doi: 10.1107/S1600536811038529. Epub 2011 Sep 30.
6
Ethyl 4-hydr-oxy-2,6-diphenyl-1-(2-thio-morpholinopropano-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.4-羟基-2,6-二苯基-1-(2-硫代吗啉基丙酰基)-1,2,5,6-四氢吡啶-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3180-1. doi: 10.1107/S1600536809049186.
7
Crystal structure and Hirshfeld surface analysis of ()-3-hy-droxy-2-{[(3a,6,7a)-2-(4-methyl-phenyl-sulfon-yl)-2,3,3a,6,7,7a-hexa-hydro-3a,6-ep-oxy-1-isoindol-6-yl]meth-yl}isoindolin-1-one.()-3-羟基-2-{[(3a,6,7a)-2-(4-甲基苯磺酰基)-2,3,3a,6,7,7a-六氢-3a,6-环氧-1-异吲哚-6-基]甲基}异吲哚啉-1-酮的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Feb 16;77(Pt 3):260-265. doi: 10.1107/S2056989021001626. eCollection 2021 Mar 1.
8
t-3-Ethyl-r-2,c-7-bis-(4-methoxy-phen-yl)-1,4-diazepan-5-one.t-3-乙基-r-2,c-7-双-(4-甲氧基-苯基)-1,4-二氮杂环庚烷-5-酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 28;65(Pt 11):o2885-6. doi: 10.1107/S1600536809043311.
9
4-(4-Chloro-phen-yl)-6-hydr-oxy-5-(2-thienyl-carbonyl)-6-(trifluoro-meth-yl)-3,4,5,6-tetra-hydro-pyrimidin-2(1H)-one monohydrate.4-（4-氯苯基）-6-羟基-5-（2-噻吩羰基）-6-（三氟甲基）-3,4,5,6-四氢嘧啶-2（1H）-酮一水合物
Acta Crystallogr Sect E Struct Rep Online. 2009 May 20;65(Pt 6):o1339. doi: 10.1107/S1600536809017097.
10
Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluoro-phen-yl)-4-[(4-fluoro-phen-yl)amino]-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.1-(4-氟苯基)-4-[(4-氟苯基)氨基]-2,6-二苯基-1,2,5,6-四氢吡啶-3-羧酸乙酯的合成、晶体结构、 Hirshfeld表面分析、密度泛函理论及自然键轨道研究
Acta Crystallogr E Crystallogr Commun. 2023 Sep 8;79(Pt 10):877-882. doi: 10.1107/S205698902300748X. eCollection 2023 Oct 1.

引用本文的文献

1
1-Chloro-acetyl-2,6-bis-(3-fluoro-phen-yl)piperidin-4-one.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1994-5. doi: 10.1107/S1600536809028529.
2
Ethyl 4-hydr-oxy-1-(2-morpholinopro-pano-yl)-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridin-3-carboxyl-ate.4-羟基-1-(2-吗啉基丙酰基)-2,6-二苯基-1,2,5,6-四氢吡啶-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 28;65(Pt 12):o3232-3. doi: 10.1107/S1600536809050259.
3
Ethyl 4-hydr-oxy-2,6-diphenyl-1-(2-thio-morpholinopropano-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.4-羟基-2,6-二苯基-1-(2-硫代吗啉基丙酰基)-1,2,5,6-四氢吡啶-3-羧酸乙酯

本文引用的文献

1
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.
2
A facile synthesis, antibacterial, and antitubercular studies of some piperidin-4-one and tetrahydropyridine derivatives.一些哌啶-4-酮和四氢吡啶衍生物的简便合成、抗菌及抗结核研究
Bioorg Med Chem Lett. 2008 Dec 15;18(24):6542-8. doi: 10.1016/j.bmcl.2008.10.045. Epub 2008 Oct 14.
3
A short history of SHELX.SHELX简史。
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3180-1. doi: 10.1107/S1600536809049186.
4
Ethyl 1-benzoyl-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 2;67(Pt 3):o540. doi: 10.1107/S1600536811003266.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
4
Synthesis and NMR spectral studies of N-chloroacetyl-2,6-diarylpiperidin-4-ones.N-氯乙酰基-2,6-二芳基哌啶-4-酮的合成与核磁共振光谱研究
Spectrochim Acta A Mol Biomol Spectrosc. 2007 Dec 31;68(5):1153-63. doi: 10.1016/j.saa.2007.01.013. Epub 2007 Jan 20.
5
Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency.
Bioorg Med Chem Lett. 2003 Apr 7;13(7):1363-6. doi: 10.1016/s0960-894x(03)00094-5.
6
Indolizidine and quinolizidine alkaloids.吲哚里西啶和喹诺里西啶生物碱。
Nat Prod Rep. 1997 Dec;14(6):619-36. doi: 10.1039/np9971400619.
7
Synthesis of N-[[(substituted-phenyl)carbonyl]amino]-1,2,3,6-tetrahydropyridines with analgesic and hyperglycemic activity.
J Med Chem. 1982 Jun;25(6):720-3. doi: 10.1021/jm00348a021.
8
Pyrrole, pyrrolidine, piperidine, pyridine, and azepine alkaloids.吡咯、吡咯烷、哌啶、吡啶和氮杂卓生物碱。
Nat Prod Rep. 1992 Feb;9(1):17-23. doi: 10.1039/np9920900017.