methyl 6-(2-chlorophenyl)nicotinate | 1221403-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 6-(2-chlorophenyl)nicotinate
• 英文别名: 6-(2-chloro-phenyl)-nicotinic acid methyl ester；methyl 6-(2-chlorophenyl)pyridine-3-carboxylate
• CAS: 1221403-85-5
• 化学式: C₁₃H₁₀ClNO₂
• 分子量: 247.681
• InChiKey: XZCBMGVIUKNCNW-UHFFFAOYSA-N

物化性质

• 沸点：
  349.0±32.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 6-(2-chlorophenyl)nicotinate 在 lithium hydroxide 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 DMF (N,N-dimethyl-formamide) 、 水 为溶剂， 反应 24.0h， 生成 N-(4-tert-butyl-phenyl)-6-(2-chloro-phenyl)-nicotinamide
  参考文献：
  名称：

  [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS
  [FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES

  摘要：

  公开号：

  WO2004056774A3
• 作为产物：
  描述：

  6-氯烟酸甲酯 、 2-氯苯基硼酸 在 Pd(PPh3)4 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 12.0h， 生成 methyl 6-(2-chlorophenyl)nicotinate
  参考文献：
  名称：

  [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS
  [FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES

  摘要：

  公开号：

  WO2004056774A3

文献信息

• Identification of piperazine-bisamide GHSR antagonists for the treatment of obesity
  作者：Ming Yu、Mike Lizarzaburu、Holger Beckmann、Richard Connors、Kang Dai、Katrin Haller、Cong Li、Lingming Liang、Michelle Lindstrom、Ji Ma、Alykhan Motani、Malgorzata Wanska、Alex Zhang、Leping Li、Julio C. Medina

  DOI：10.1016/j.bmcl.2010.01.043

  日期：2010.3

  Piperazine-bisamide analogs were discovered as partial agonists of human growth hormone secretagogue receptor (GHSR) in a high throughput screen. The partial agonists were optimized for potency and converted into antagonists through structure–activity relationship (SAR) studies. The efforts also led to the identification of potent antagonist with favorable PK profile suitable as a tool compound for

  在高通量筛选中发现哌嗪-双酰胺类似物是人类生长激素促分泌素受体（GHSR）的部分激动剂。优化了部分激动剂的效价，并通过结构-活性关系（SAR）研究将其转化为拮抗剂。这些努力还导致鉴定出具有有利的PK谱的有效拮抗剂，适合用作体内研究的工具化合物。
• Enantioselective Dearomative [3 + 2] Umpolung Annulation of <i>N</i>-Heteroarenes with Alkynes
  作者：Peng Yang、Qiang Wang、Bing-Hui Cui、Xiao-Dong Zhang、Hang Liu、Yue-Yuan Zhang、Jia-Liang Liu、Wen-Yu Huang、Ren-Xiao Liang、Yi-Xia Jia

  DOI：10.1021/jacs.1c11092

  日期：2022.1.26

  Enantioselective [3 + 2] annulation of N-heteroarenes with alkynes has been developed via a cobalt-catalyzed dearomative umpolung strategy in the presence of chiral ligand and reducing reagent. A variety of electron-deficient N-heteroarenes, including quinolines, isoquinolines, quinoxaline, and pyridines, and internal or terminal alkynes are employed in this reaction, showing a broad substrate scope

  在手性配体和还原剂存在下，通过钴催化的脱芳环化策略开发了N-杂芳烃与炔烃的对映选择性[3 + 2] 环化。该反应使用了多种缺电子的N-杂芳烃，包括喹啉、异喹啉、喹喔啉和吡啶，以及内部或末端炔烃，显示出广泛的底物范围和良好的官能度耐受性。还开发了用炔烃环化富电子吲哚。该协议提供了对具有出色对映选择性的各种N-螺杂环分子的直接访问（76 个示例，高达 99% ee）。
• Substituted biphenyl-4-carboxylic acid arylamide analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20060100245A1

  公开（公告）日：2006-05-11

  Substituted biphenyl-4-carboxylic acid arylamide analogues capable of modulating receptor activity, are provided. Such ligands may be used to modulate receptor activity in vivo or in vitro, and are particularly useful in the treatment of pain and other conditions associated with receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了能够调节受体活性的取代联苯-4-羧酸芳香酰胺类似物。这样的配体可以用于体内或体外调节受体活性，并且在治疗与人类、家畜伴侣动物和家畜动物中的受体激活有关的疼痛和其他疾病方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的配体使用方法。
• SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS
  申请人：NEUROGEN CORPORATION

  公开号：EP1575918A2

  公开（公告）日：2005-09-21
• [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES<br/>[FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES
  申请人：NEUROGEN CORP

  公开号：WO2004056774A2

  公开（公告）日：2004-07-08

  Substituted biphenyl-4-carboxylic acid arylamide analogues of the formula (I) capable of modulating receptor activity, are provided. Such ligands may be used to modulate receptor activity in vivo or in vitro, and are particularly useful in the treatment of pain and other conditions associated with receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for receptor localization studies.