(S)-3-tert-Butoxymethyl-6-ethyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

• 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)-3-tert-Butoxymethyl-6-ethyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
• 英文别名: (8S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
• 化学式: C₂₁H₂₇N₃O₃
• 分子量: 369.464
• InChiKey: OHRKKMFZDUDWQZ-JCYILVPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  74.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  FMOC-O-叔丁基-L-丝氨酸 、 丙醛 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (S)-3-tert-Butoxymethyl-6-ethyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
  参考文献：
  名称：

  Solid phase synthesis of fumitremorgin, verruculogen and tryprostatin analogs based on a cyclization/cleavage strategy

  摘要：

  A solid phase synthesis towards structural analogs of fumitremorgins, verruculogens and tryprostatins using a cyclization/cleavage strategy was developed. To prove the general applicability of the route, a representative set of 42 single compounds (as diastereomeric mixtures) was prepared by parallel synthesis and analyzed with LC/MS. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00931-9