2-氯喹啉-4-羧酸乙酯 | 5467-61-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-氯喹啉-4-羧酸乙酯
• 中文别名: 2-氯喹啉-4-甲酸乙酯
• 英文名称: ethyl 2-chloroquinoline-4-carboxylate
• CAS: 5467-61-8
• 化学式: C₁₂H₁₀ClNO₂
• mdl: MFCD05039607
• 分子量: 235.67
• InChiKey: AXLMKXSYVPIPMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  2-氯喹啉-4-羧酸乙酯 在 sodium hydroxide 作用下， 生成 2-氯喹林-4-羧酸
  参考文献：
  名称：

  Thielepape, Chemische Berichte, 1938, vol. 71, p. 387,393

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯喹林-4-羧酸 在 氯化亚砜 、 三乙胺 作用下， 反应 2.5h， 生成 2-氯喹啉-4-羧酸乙酯
  参考文献：
  名称：

  Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents

  摘要：

  A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.096

文献信息

• Inhibitors of amyloid beta-protein production
  申请人：Eli Lilly and Company

  公开号：US05814646A1

  公开（公告）日：1998-09-29

  A method of protecting a warm-blooded mammal from the progression of Alzheimer's disease, which comprises administering an effective amount of a compound of general formula. ##STR1## in which: R.sup.1 represents an optionally substituted aromatic or heteroaromatic group; L.sup.1 and L.sup.2 each independently represents a bond or an unbranched (1-4C) alkylene group, which alkylene group may optionally bear a (1-4C) alkyl, phenyl or phenyl (1-2C) alkyl substituent; one of Y.sup.1 and Y.sup.2 represents NR.sup.3 and the other represents O, S or NR.sup.3, in which R.sup.3 represent hydrogen, hydroxyl, (1-4C) alkoxy, (1-4C) alkyl or di (1-4C) alkylamino; Z represents O or S; and R.sup.2 represents (3-8C) cycloalkyl, heterocyclyl, and optionally substituted aromatic or heteroaromatic group, or together with L.sup.2, (1-10C) alkyl; or a pharmaceutically acceptable salt thereof.

  一种保护温血哺乳动物免受阿尔茨海默病进展的方法，包括给予一定量的一般式化合物。##STR1##其中：R.sup.1代表可选择取代的芳香族或杂芳族基团；L.sup.1和L.sup.2各自独立代表键或直链(1-4C)烷基基团，该烷基基团可能可选择携带(1-4C)烷基、苯基或苯基(1-2C)烷基取代基；Y.sup.1和Y.sup.2中的一个代表NR.sup.3，另一个代表O、S或NR.sup.3，其中R.sup.3代表氢、羟基、(1-4C)烷氧基、(1-4C)烷基或二(1-4C)烷基氨基；Z代表O或S；R.sup.2代表(3-8C)环烷基、杂环烷基和可选择取代的芳香族或杂芳族基团，或与L.sup.2一起，(1-10C)烷基；或其药学上可接受的盐。
• Chemical compounds as inhibitors of amyloid beta protein production
  申请人：Eli Lilly and Company

  公开号：US05624937A1

  公开（公告）日：1997-04-29

  A compound of the formula I in which ##STR1## Z is O or S; R.sup.11 is a halogen atom; R.sup.12 is a halogen atom or a trifluoromethyl group; and X is S, SO, SO.sub.2, O or NH; R.sup.4 is naphthyl, quinolinyl, benzimidazolyl, pyridyl, pyradazinyl, benzoxazolyl or benzothiazolyl, unsubstituted or substituted by one or two substituents selected from a halogen atom, (1-4C)alkyl, (1-4C)alkoxy, nitro, (1-4C)alkoxycarbonyl, halo(1-4C)alkyl, and phenyl; or a pharmaceutically acceptable salt thereof. The compounds are useful as inhibitors of amyloid beta-protein production.

  一种具有以下式I的化合物：##STR1## 其中Z为O或S；R.sup.11为卤素原子；R.sup.12为卤素原子或三氟甲基基团；X为S、SO、SO.sub.2、O或NH；R.sup.4为萘基、喹啉基、苯并咪唑基、吡啶基、吡啶并咪唑基、苯并噁唑基或苯并噻唑基，未取代或取代为一个或两个取自卤素原子、(1-4C)烷基、(1-4C)烷氧基、硝基、(1-4C)烷氧羰基、卤代(1-4C)烷基和苯基的取代基；或其药学上可接受的盐。这些化合物可用作淀粉样β-蛋白产生的抑制剂。
• Electrophilically Activated Nitroalkanes in Double Annulation of [1,2,4]Triazolo[4,3-a]quinolines and 1,3,4-Oxadiazole Rings
  作者：Alexander V. Aksenov、Nikita K. Kirilov、Nicolai A. Aksenov、Dmitrii A. Aksenov、Elena A. Sorokina、Carolyn Lower、Michael Rubin

  DOI：10.3390/molecules26185692

  日期：——

  toward heterocyclic systems. This strategy was developed for an innovative synthetic protocol employing simultaneous or sequential annulation of two different heterocyclic cores, affording [1,2,4]triazolo[4,3-a]quinolines with 1,3,4-oxadiazole substituents.

  用多磷酸活化的硝基烷烃可以在与胺和肼的反应中作为有效的亲电子试剂，从而实现向杂环系统的各种级联转化。该策略是为一种创新的合成方案而开发的，该方案采用同时或顺序成环两个不同的杂环核心，提供具有1,3,4-恶二唑取代基的[1,2,4]三唑并[4,3- a ]喹啉。
• Synthesis and antiinflammatory and analgesic activities of quinolino[2,1-b]quinazoline derivatives
  作者：A. I. Mikhalev、M. E. Konshin、O. A. Yanborisova、A. S. Zaks、V. V. Yushkov

  DOI：10.1007/bf00768982

  日期：1991.10

  694697 (1988). 3. I.F. Izmerov, I. V. Sanotskii, and K. K. Sidorov, Parameters of Toxicometry of Industrial Poisons in the Case of Single Exposure [in Russian], Moscow (1977). 4. Kh. M. Nasyrov, Synthesis and Preclinical investigation of Novel Biologically Active Compounds [in Russian], Ufa (1988), pp. 49-54. 5. G.A. Tolstikov, U. M. Dzhemilev, and A. Sh. Yukhanova, Zh. Obshch. Khim., 46, No. 4, 917-923

  一世。LA Baltina、RM Kondratenko 和 GA Tolstikov，Zh。奥布希。Khim., 54, No. ii, 2573-2579 (1984)。2. LA Baltina, VA Davydova, IG Chikaeva, et ai., Khim.-farm。Zh., No. 6, 694697 (1988)。3. IF Izmerov、IV Sanotskii 和 KK Sidorov，《单一暴露情况下工业毒物的毒理学参数》[俄语]，莫斯科（1977 年）。4. 小时。M. Nasyrov，新型生物活性化合物的合成和临床前研究 [俄文]，Ufa (1988)，第 49-54 页。5. GA Tolstikov、UM Dzhemilev 和 A. Sh. 尤哈诺娃，Z. 奥布希。Khim., 46, No. 4, 917-923 (1976)。6. GA Tolstikov、LA
• Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(<scp>iii</scp>) complexes for solution processable red-NIR organic light-emitting diodes
  作者：Hae Un Kim、Sunyoung Sohn、Wanuk Choi、Minjun Kim、Seung Un Ryu、Taiho Park、Sungjune Jung、K. S. Bejoymohandas

  DOI：10.1039/c8tc04321c

  日期：——

  intermolecular interactions in these new compounds. We also performed an in-depth and comparative photophysical study in the solution, neat powder, doped polymer film, and freeze matrix at 77 K states to investigate the effects of substitution on the excited-state properties. These studies were conducted in conjunction with density functional theory (DFT) and time-dependent density functional theory (TD-DFT)

  围绕信息安全设备和夜视显示器进行光疗和民用医疗诊断的基本和实际应用需求推动了对近红外（NIR-）发射材料和设备的研究。然而，由于小发射带隙对几种非辐射衰变途径的脆弱性，包括基态和激发态振动能的重叠以及低能级的发展，稳定，高效，低成本的发射近红外光的发光体仍然是一个艰巨的挑战。高频振荡器。为了产生强烈的近红外发射，必须进行适当的结构设计。本文中，我们开发了一系列深红色至近红外发射铱（III）配合物（Ir1-Ir4）探索锚定在（苯并[ b]噻吩-2-基）喹啉环金属化配体。这些取代基有助于系统地设计从深红色到NIR区域的发射带隙，同时极大地改变发射效率。单晶X射线结构验证了这些新化合物中确切的配位几何结构和分子间相互作用。我们还对溶液，纯粉末，掺杂的聚合物薄膜和冻结基质在77 K态下进行了深入的比较光物理研究，以研究取代对激发态性质的影响。这些研究是结合密度泛函理论（DFT）和时变密度泛函理论（

表征谱图