(S)-4-(N-methylindol-3-ylmethyl)-2-(2-phenylethyl)-1,3-oxazoline | 941317-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-4-(N-methylindol-3-ylmethyl)-2-(2-phenylethyl)-1,3-oxazoline
• 英文别名: (S)-4-(N-methylindol-3-ylmethyl)-2-(2-phenylethyl)-1,3-oxaz oline；(4S)-4-[(1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
• CAS: 941317-21-1
• 化学式: C₂₁H₂₂N₂O
• 分子量: 318.418
• InChiKey: UBTKVENJBFEHMN-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  26.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (S)-2-amino-3-(1-methyl-1H-indol-3-yl)propan-1-ol 、 Benzyl 3-phenylpropionate 在 Zn₄(OCOCF₃)6O 作用下， 以 氯苯 为溶剂， 反应 18.0h， 以76%的产率得到(S)-4-(N-methylindol-3-ylmethyl)-2-(2-phenylethyl)-1,3-oxazoline
  参考文献：
  名称：

  CONDENSATION REACTION BY METAL CATALYST

  摘要：

  公开号：

  EP1958940B1

文献信息

• Condensation reaction by metal catalyst
  申请人：Takasago International Corporation

  公开号：US07888513B2

  公开（公告）日：2011-02-15

  The invention relates to a method for producing an azoline compound represented by the general formula (3): wherein R1 represents an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted alkoxycarbonyl group, a halogen atom, a substituted amino group, a substituted carbamoyl group or an optionally substituted heterocyclic group; R3, R4, R5 and R6 may be the same or different and each represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted alkoxycarbonyl group, a halogen atom, a substituted amino group, a substituted carbamoyl group or an optionally substituted heterocyclic group; two arbitrary groups selected from R3, R4, R5 and R6 may bond to each other to form a ring; and Z1 represents an oxygen atom, a sulfur atom or a selenium atom; comprising reacting a carboxylic acid or a carboxylic acid derivative represented by the general formula (1): R1CO2R2  (1) wherein R1 is as defined above; R2 represents a hydrogen atom, an optionally substituted alkyl group or an optionally substituted aryl group; and R1 and R2 may bond to each other to form a ring; with an aminochalcogenide represented by the general formula (2): wherein R3, R4, R5, R6 and Z1 are as defined above; in the presence of a compound containing a group 12 metal element in the periodic table.

  本发明涉及一种制备一种由通式（3）表示的氮杂环化合物的方法：其中R1表示可选取代的碳氢基团，可选取代的烷氧基团，可选取代的烷氧羰基团，卤素原子，取代的氨基团，取代的氨基甲酰基团或可选取代的杂环基团；R3、R4、R5和R6可以相同也可以不同，每个表示氢原子，可选取代的碳氢基团，可选取代的烷氧基团，可选取代的烷氧羰基团，卤素原子，取代的氨基团，取代的氨基甲酰基团或可选取代的杂环基团；从R3、R4、R5和R6中任选两个基团可以结合形成一个环；Z1表示氧原子，硫原子或硒原子；包括在周期表中含有12号族金属元素的化合物存在下，将通式（1）表示的羧酸或羧酸衍生物：R1CO2R2（1）其中R1如上所定义；R2表示氢原子，可选取代的烷基团或可选取代的芳基团；R1和R2可以结合形成一个环；与通式（2）表示的氨基硫族化合物反应：其中R3、R4、R5、R6和Z1如上所定义。
• Condensation Reaction by Metal Catalyst
  申请人：Mashima Kazushi

  公开号：US20090198070A1

  公开（公告）日：2009-08-06

  The invention relates to a method for producing an azoline compound represented by the general formula (3): wherein R 1 represents an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted alkoxycarbonyl group, a halogen atom, a substituted amino group, a substituted carbamoyl group or an optionally substituted heterocyclic group; R 3 , R 4 , R 5 and R 6 may be the same or different and each represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted alkoxycarbonyl group, a halogen atom, a substituted amino group, a substituted carbamoyl group or an optionally substituted heterocyclic group; two arbitrary groups selected from R 3 , R 4 , R 5 and R 6 may bond to each other to form a ring; and Z 1 represents an oxygen atom, a sulfur atom or a selenium atom; comprising reacting a carboxylic acid or a carboxylic acid derivative represented by the general formula (1): R 1 CO 2 R 2 (1) wherein R 1 is as defined above; R 2 represents a hydrogen atom, an optionally substituted alkyl group or an optionally substituted aryl group; and R 1 and R 2 may bond to each other to form a ring; with an aminochalcogenide represented by the general formula (2): wherein R 3 , R 4 , R 5 , R 6 and Z 1 are as defined above; in the presence of a compound containing a group 12 metal element in the periodic table.

  本发明涉及一种制备由通式（3）表示的氮杂环化合物的方法：其中R1表示可选取代的烃基、可选取代的烷氧基、可选取代的烷氧羰基、卤素原子、取代的氨基基团、取代的氨基甲酰基团或可选取代的杂环基团；R3、R4、R5和R6可以相同也可以不同，每个表示氢原子、可选取代的烃基、可选取代的烷氧基、可选取代的烷氧羰基、卤素原子、取代的氨基基团、取代的氨基甲酰基团或可选取代的杂环基团；从R3、R4、R5和R6中任选两个基团可以结合形成环；Z1表示氧原子、硫原子或硒原子；包括在周期表中含有12号族金属元素的化合物存在下，将由通式（1）表示的羧酸或羧酸衍生物与由通式（2）表示的氨基硫、氨基硒或氨基氧化合物反应。其中，R1、R2、R3、R4、R5、R6和Z1的含义如上所述。
• US7888513B2
  申请人：——

  公开号：US7888513B2

  公开（公告）日：2011-02-15
• CONDENSATION REACTION BY METAL CATALYST
  申请人：Takasago International Corporation

  公开号：EP1958940B1

  公开（公告）日：2013-06-26