(5R,6'aS)-3-(3,5-dichloro-2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,5'-6a,7,8,9,10,12-hexahydro-6H-pyrido[1,2-b][2]benzazepine] | 1312812-23-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: (5R,6'aS)-3-(3,5-dichloro-2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,5'-6a,7,8,9,10,12-hexahydro-6H-pyrido[1,2-b][2]benzazepine]
• CAS: 1312812-23-9
• 化学式: C₂₅H₂₈Cl₂N₂O
• 分子量: 443.416
• InChiKey: JXRMCWKLXUBZLW-UQBPGWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  24.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (S)-2-allyl-piperidine-1-carboxylic acid tert-butyl ester 在 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 17.0h， 生成 (5S,6'aS)-3-(3,5-dichloro-2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,5'-6a,7,8,9,10,12-hexahydro-6H-pyrido[1,2-b][2]benzazepine] 、 (5R,6'aS)-3-(3,5-dichloro-2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,5'-6a,7,8,9,10,12-hexahydro-6H-pyrido[1,2-b][2]benzazepine]
  参考文献：
  名称：

  Enantiopure 2-piperidylacetaldehyde as a useful building block in the diversity-oriented synthesis of polycyclic piperidine derivatives

  摘要：

  Novel, simple, and convenient strategies for diversely functionalized piperidine derivatives have been developed by using different metal catalyzed reactions starting from enantiopure (R)- and (S)-2-piperidylacetaldehyde. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.01.008

文献信息

• Enantiopure 2-piperidylacetaldehyde as a useful building block in the diversity-oriented synthesis of polycyclic piperidine derivatives
  作者：Elena Borsini、Gianluigi Broggini、Francesco Colombo、Maisaa Khansaa、Andrea Fasana、Simona Galli、Daniele Passarella、Elena Riva、Sergio Riva

  DOI：10.1016/j.tetasy.2011.01.008

  日期：2011.2

  Novel, simple, and convenient strategies for diversely functionalized piperidine derivatives have been developed by using different metal catalyzed reactions starting from enantiopure (R)- and (S)-2-piperidylacetaldehyde. (C) 2011 Elsevier Ltd. All rights reserved.