(9R,10R)-N,N'-di-tert-butoxycarbonyl-2,6-dimethyl-1,5-diaza-cis-decalin | 355131-83-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (9R,10R)-N,N'-di-tert-butoxycarbonyl-2,6-dimethyl-1,5-diaza-cis-decalin
• 英文别名: ditert-butyl (4aR,8aR)-2,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine-1,5-dicarboxylate
• CAS: 355131-83-8
• 化学式: C₂₀H₃₆N₂O₄
• 分子量: 368.517
• InChiKey: PLBMDIQSKKUQAM-QDIHITRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (9R,10R)-N,N'-di-tert-butoxycarbonyl-2,6-dimethyl-1,5-diaza-cis-decalin 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 11.0h， 以31%的产率得到(2R,6R,9R,10R)-2,6-dimethyl-1,5-diaza-cis-decalin
  参考文献：
  名称：

  Synthesis and conformational analysis of 2,6-dimethyl-1,5-diaza-cis-decalins

  摘要：

  The stereoselective synthesis of 2,6-dimethyl-1,5-diaza-cis-decalins with the dimethyl groups syn or anti to the angular hydrogens has been accomplished starting from 1,5-diaza-cis-decalin. From an NMR study of the conformational properties of all three 2,6-dimethyl-1,5-diaza-cis-decalins, the components which affect the conformational equilibrium have been identified. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00370-2
• 作为产物：
  描述：

  (9R,10R)-N,N'-di-tert-butoxycarbonyl-2,6-dioxo-1,5-diaza-cis-decalin 在 Rh/Al₂O₃ 二氯二茂钛 、 氢气 作用下， 以 甲醇 、 乙醚 、 甲苯 为溶剂， -15.0~80.0 ℃ 、1.24 MPa 条件下， 反应 53.5h， 生成 (9R,10R)-N,N'-di-tert-butoxycarbonyl-2,6-dimethyl-1,5-diaza-cis-decalin
  参考文献：
  名称：

  Synthesis and conformational analysis of 2,6-dimethyl-1,5-diaza-cis-decalins

  摘要：

  The stereoselective synthesis of 2,6-dimethyl-1,5-diaza-cis-decalins with the dimethyl groups syn or anti to the angular hydrogens has been accomplished starting from 1,5-diaza-cis-decalin. From an NMR study of the conformational properties of all three 2,6-dimethyl-1,5-diaza-cis-decalins, the components which affect the conformational equilibrium have been identified. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00370-2

文献信息

• Synthesis and conformational analysis of 2,6-dimethyl-1,5-diaza-cis-decalins
  作者：Marisa C. Kozlowski、Zhenrong Xu、A.Gil Santos

  DOI：10.1016/s0040-4020(01)00370-2

  日期：2001.5

  The stereoselective synthesis of 2,6-dimethyl-1,5-diaza-cis-decalins with the dimethyl groups syn or anti to the angular hydrogens has been accomplished starting from 1,5-diaza-cis-decalin. From an NMR study of the conformational properties of all three 2,6-dimethyl-1,5-diaza-cis-decalins, the components which affect the conformational equilibrium have been identified. (C) 2001 Elsevier Science Ltd. All rights reserved.