ethyl 4-iodo-2-(methylthio)pyrimidine-5-carboxylate | 1133-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 4-iodo-2-(methylthio)pyrimidine-5-carboxylate
• 英文别名: 4-Iod-2-methylmercapto-5-aethoxycarbonyl-pyrimidin；4-Iod-2-methylmercaptopyrimidin-carbonsaeure-(5)-ethylester；4-iodo-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester；ethyl 4-iodo-2-methylsulfanylpyrimidine-5-carboxylate
• CAS: 1133-91-1
• 化学式: C₈H₉IN₂O₂S
• 分子量: 324.142
• InChiKey: RCINXLSUCHDNIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  苯乙炔 、 ethyl 4-iodo-2-(methylthio)pyrimidine-5-carboxylate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以73%的产率得到ethyl 2-(methylthio)-4-(phenylethynyl)pyrimidine-5-carboxylate
  参考文献：
  名称：

  6-endo-dig Cyclization of heteroarylesters to alkynes promoted by Lewis acid catalyst in the presence of Brønsted acid

  摘要：

  We report a regiocontrolled 6-endo-dig cyclization of 2-(2-arylethynyl)heteroaryl esters occurred under Bronsted acidic conditions and in the presence of a catalytic amount of Lewis acids such as Cu(OTf)(2), AUCl(3), or (CF3CO2)Ag. A variety of heteroc yclic lactones are readily prepared in excellent yields. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.020

文献信息

• [EN] METABOTROPIC GLUTAMATE RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS GLUTAMATERGIQUES MÉTABOTROPES
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2012085166A1

  公开（公告）日：2012-06-28

  The invention relates to heterocyclic derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are mGluR5 modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  这项发明涉及杂环衍生物及其药用可接受的盐。该发明还涉及一种制备这类化合物的方法。该发明的化合物是mGluR5调节剂，因此对于控制和预防急性和/或慢性神经系统疾病是有用的。
• Substituted diazepan orexin receptor antagonists
  申请人：Bergman Jeffrey M.

  公开号：US20080132490A1

  公开（公告）日：2008-06-05

  The present invention is directed to substituted diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及替代二氮杂环丙烷化合物，其为促进睡眠蛋白受体的拮抗剂，可用于治疗或预防神经和精神疾病，以及涉及促进睡眠蛋白受体的疾病。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在预防或治疗涉及促进睡眠蛋白受体的疾病中的用途。
• SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS
  申请人：Bergman Jeffrey M.

  公开号：US20110195957A1

  公开（公告）日：2011-08-11

  The present invention is directed to substituted diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• US7951797B2
  申请人：——

  公开号：US7951797B2

  公开（公告）日：2011-05-31