(1S,4S,7S,9S)-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione | 207349-26-6

• 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: (1S,4S,7S,9S)-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
• CAS: 207349-26-6
• 化学式: C₁₄H₁₅N₃O₂
• 分子量: 257.292
• InChiKey: CPWGQWLDIUVLNR-QZDOIJKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,4S,7S,9S)-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione 在 吡啶 作用下， 反应 7.0h， 生成
  参考文献：
  名称：

  Stereochemical issues related to the synthesis and reactivity of pyrazino[2′,1′-5,1]pyrrolo[2,3-b]indole-1,4-diones

  摘要：

  The cyclization of all four diastereoisomers of cyclo-(Trp-Ala) to the corresponding 3,5a,6,10b,11,11a-hexahydro-2H-pyrazino[2',1'-5,1]pyrrolo[2,3-b]indoles is studied from the stereochemical point of view. Epimerization of the tryptophan stereocenter during the cyclization and during acylation reactions of the N-2 atom of the tetracyclic derivatives is discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00068-8
• 作为产物：
  描述：

  L-色氨酸甲酯 在 palladium on activated charcoal 氢气 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 61.53h， 生成 (1S,4S,7S,9S)-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
  参考文献：
  名称：

  Stereochemical issues related to the synthesis and reactivity of pyrazino[2′,1′-5,1]pyrrolo[2,3-b]indole-1,4-diones

  摘要：

  The cyclization of all four diastereoisomers of cyclo-(Trp-Ala) to the corresponding 3,5a,6,10b,11,11a-hexahydro-2H-pyrazino[2',1'-5,1]pyrrolo[2,3-b]indoles is studied from the stereochemical point of view. Epimerization of the tryptophan stereocenter during the cyclization and during acylation reactions of the N-2 atom of the tetracyclic derivatives is discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00068-8