4-(N-Ethylglycyl)phenyl 4-methylbenzene-1-sulfonate | 920804-67-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(N-Ethylglycyl)phenyl 4-methylbenzene-1-sulfonate
• 英文别名: [4-[2-(ethylamino)acetyl]phenyl] 4-methylbenzenesulfonate
• CAS: 920804-67-7
• 化学式: C₁₇H₁₉NO₄S
• 分子量: 333.4
• InChiKey: LJQUDCHGVIKONK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF
  申请人：OKUYAMA Masahiro

  公开号：US20110251385A1

  公开（公告）日：2011-10-13

  The present invention relates to a production method of an optically active morpholine compound represented by the formula 10, which includes the following steps: wherein each symbol is as defined in the specification. The present invention also relates to a production method of an compound represented by the formula 55, which includes the following steps: wherein each symbol is as defined in the specification. According to the production method of the present invention, an optically active 2-aryl-substituted morpholine compound and 3-oxo-3-(pyrimidin-4-yl)propionate, which are important as starting materials for synthesizing 2-(2-arylmorpholin-4-yl)-1-methyl-1H-[4,4′]bipyrimidinyl-6-one having a tau protein kinase 1 inhibitory activity and useful as a therapeutic drug for Alzheimer's disease and the like, can be produced in a high yield by an industrially advantageous method.

  本发明涉及一种光学活性吗啉化合物的生产方法，其由公式10表示，包括以下步骤：其中每个符号如规范中所定义。本发明还涉及一种由公式55表示的化合物的生产方法，其包括以下步骤：其中每个符号如规范中所定义。根据本发明的生产方法，可以通过一种工业上有利的方法高产地生产重要的起始材料，即光学活性2-芳基取代吗啉化合物和3-氧代-3-(嘧啶-4-基)丙酸酯，用于合成具有tau蛋白激酶1抑制活性的2-(2-芳基吗啉-4-基)-1-甲基-1H-[4,4′]联吡啶基-6-酮，该化合物对阿尔茨海默病等有用作用的治疗药物。
• Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2221305A1

  公开（公告）日：2010-08-25

  Provided is a method for synthesizing an optically active compound represented by the formula (1) wherein R is an aryl optionally having substituent(s) or a heteroaryl optionally having substituent(s), and a carbon atom marked with * is an asymmetric carbon atom; which comprises synthesizing a compound represented by the formula 55, which comprises the following steps: wherein Ra and Rb are the same or different and each is a C1-6 alkyl, reacting orotic acid of the formula 51 with an alkylating agent in a solvent in the presence of a base to give a compound of the formula 52, heating the compound of the formula 52 under reflux with a chlorinating agent to give a compound of the formula 53, dechlorinating the compound of the formula 53 in the presence of a base to give a compound of the formula 54, and reacting the compound of the formula 54 with acetate in the presence of a base to give the compound of the formula 55.

  提供了一种合成由式（1）表示的光学活性化合物的方法 其中 R 是可选具有取代基的芳基或可选具有取代基的杂芳基，标有 * 的碳原子是不对称碳原子；该方法包括合成由式 55 表示的化合物，其中包括以下步骤： 其中 Ra 和 Rb 相同或不同，且各自为 C1-6 烷基，在碱存在下，使式 51 的橙酸在溶剂中与烷化剂反应，得到式 52 的化合物，在回流下用氯化剂加热式 52 的化合物，得到式 53 的化合物，在碱存在下，使式 53 的化合物脱氯，得到式 54 的化合物，在碱存在下，使式 54 的化合物与乙酸酯反应，得到式 55 的化合物。
• US7994315B2
  申请人：——

  公开号：US7994315B2

  公开（公告）日：2011-08-09
• [EN] INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF<br/>[FR] COMPOSE INTERMEDIAIRE UTILISE POUR LA SYNTHESE D'UN AGENT PHARMACEUTIQUE, PROCEDE DE PRODUCTION DE CE DERNIER
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2007011065A2

  公开（公告）日：2007-01-25

  [EN] The present invention relates to a production method of an optically active morpholine compound represented by the formula 10, which includes the following steps: wherein each symbol is as defined in the specification. The present invention also relates to a production method of an compound represented by the formula 55, which includes the following steps: wherein each symbol is as defined in the specification. According to the production method of the present invention, an optically active 2-aryl-substituted morpholine compound and 3-oxo-3-(pyrimidin-4-yl)propionate, which are important as starting materials for synthesizing 2-(2-arylmorpholin-4-yl)-1-methyl-1H-[4,4']bipyrimidinyl-6-one having a tau protein kinase 1 inhibitory activity and useful as a therapeutic drug for Alzheimer's disease and the like, can be produced in a high yield by an industrially advantageous method.
  [FR] La présente invention concerne un procédé de production d'un composé morpholine optiquement actif représenté par la formule (10) qui comprend les étapes suivantes dans lesquelles chaque symbole est tel que défini dans le descriptif. Cette invention porte également sur un procédé de production d'un composé représenté par la formule (55) qui comprend les étapes suivantes dans lesquelles chaque symbole est tel que spécifié dans le descriptif. Conformément au procédé de production selon l'invention, un composé morpholine à substitution 2 aryle optiquement actif et un 3-oxo-3-(pyrimidin-4-yl)propionate qui sont importants en tant que produits de départ pour la synthèse de 2-(2-arylmorpholin-4-yl)-1-méthyl-1H-[4,4']bipyrimidinyl-6-one présentant une activité inhibitrice de la tau protéine kinase 1 et utile en tant que médicament thérapeutique pour la maladie d'Alzheimer et similaire peuvent être produits à haut rendement par un procédé avantageux du point de vue industriel. Formule (10)