[7-Methoxy-3,4-dihydro-2H-naphthalen-(1Z)-ylidene]-acetic acid | 63319-95-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: [7-Methoxy-3,4-dihydro-2H-naphthalen-(1Z)-ylidene]-acetic acid
• 英文别名: (2Z)-2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
• CAS: 63319-95-9
• 化学式: C₁₃H₁₄O₃
• 分子量: 218.252
• InChiKey: XNPWRVMAMATBMA-YFHOEESVSA-N

物化性质

• 沸点：
  397.0±37.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Process for the synthesis of (7-methoxy-3, 4-dihydro-1-naphthalenyl) acetonitrile and its application in the synthesis of agomelatine
  申请人：Souvie Jean-Claude

  公开号：US20050182268A1

  公开（公告）日：2005-08-18

  A process for the industrial synthesis of the compound of formula (I) Application in the synthesis of agomelatine.

  一种用于工业合成化合物(I)的方法，应用于阿戈美拉汀的合成。
• Process for the synthesis of (7-methoxy-1-naphthyl)acetonitrile and its application in the synthesis of agomelatine
  申请人：Souvie Jean-Claude

  公开号：US20050182267A1

  公开（公告）日：2005-08-18

  A process for the industrial synthesis of the compound of formula (I) Application in the synthesis of agomelatine.

  工业合成化合物的方法（I）的应用于阿戈美拉汀的合成。
• Process for the synthesis and crystalline form of agomelatine
  申请人：Souvie Jean-Claude

  公开号：US20050182276A1

  公开（公告）日：2005-08-18

  A process for the industrial synthesis and a new crystalline form of the compound of formula (I): Medicinal products containing the same which are useful in treating disorders of the melatoninergic system.

  一种用于工业合成的过程以及化合物（I）的新晶体形式：包含该化合物的药品，可用于治疗褪黑激素系统疾病。
• AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF
  申请人：Zhang Peng

  公开号：US20130267738A1

  公开（公告）日：2013-10-10

  The present invention relates to the intermediate compounds for preparation of agomelatine, as well as the preparation methods thereof. The intermediate of the present invention for preparation of agomelatine is compound A as shown in the following formula. Also provided are two novel intermediate compounds. When we use these new intermediate compounds to prepare agomelatine, it is simple to manipulate, well-controlled and with high purity, without complicated operations such as rectification and column chromatography separation, and suitable for industrial production. Meanwhile, the preparation methods of the two new intermediates themselves is simple and high yield, only using the most commonly-used 7-methoxy-tetralone as original starting material and undergoing one step of reaction to obtain the intermediates, followed by one more step of converting the intermediate compounds to desired product agomelatine. Said reaction processes are greatly simplified, with the reaction yield being improved and the difficulty in purification of previous method being overcome, as compare with the previous technique for preparation of agomelatine. Typically, the yield of the present invention is over 70%.

  本发明涉及用于制备阿戈美拉汀的中间化合物及其制备方法。本发明用于制备阿戈美拉汀的中间体是以下式子中的化合物A。同时提供了两种新的中间化合物。当我们使用这些新的中间化合物来制备阿戈美拉汀时，操作简单、控制良好、纯度高，无需如精馏和柱层析分离等复杂操作，适合工业生产。同时，这两种新中间体本身的制备方法简单且产率高，只需使用最常用的7-甲氧基四氢萘作为原始起始材料，经过一步反应即可获得中间体，然后再进行一步将中间体化合物转化为所需的产品阿戈美拉汀。与以往制备阿戈美拉汀的技术相比，本发明的反应过程大大简化，反应产率提高，克服了以往方法中净化困难的问题。通常情况下，本发明的产率超过70%。
• [EN] PROCESS FOR PREPARATION OF AGOMELATINE AND CRYSTALLINE FORM I THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'AGOMÉLATINE ET FORME CRISTALLINE I DE CELLE-CI
  申请人：ALEMBIC PHARMACEUTICALS LTD

  公开号：WO2014001939A1

  公开（公告）日：2014-01-03

  An improved process for the preparation of agomelatine of formula (I) and a new process for the preparation of crystalline form I of agomelatine are provided.

  提供了一种改进的制备公式（I）的阿戈美拉汀的工艺和制备阿戈美拉汀结晶形式I的新工艺。