7-(4-trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole | 1246244-94-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 7-(4-trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
• 英文别名: 7-[4-(trifluoromethyl)phenyl]sulfanyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
• CAS: 1246244-94-9
• 化学式: C₁₈H₁₇F₃N₂S
• 分子量: 350.408
• InChiKey: YPCWKTBFKHGTDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-(4-trifluoromethyl-phenylsulfanyl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 甲醇 、 diethyl ethr 为溶剂， 反应 18.0h， 以70%的产率得到7-(4-trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
  参考文献：
  名称：

  Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands

  摘要：

  Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles are synthesized using a six-step protocol. Notably, the synthesis route make use of a new and improved ring-closing methodology for the assembly of the hexahydro-pyrazino[1,2-a]indole scaffold, which is based on intramolecular CH insertion of a carbene. The compounds act as dual serotonin 5-HT2C- and 5-HT6-ligands. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.105

文献信息

• Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands
  作者：N. Krogsgaard-Larsen、A.A. Jensen、J. Kehler

  DOI：10.1016/j.bmcl.2010.07.105

  日期：2010.9

  Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles are synthesized using a six-step protocol. Notably, the synthesis route make use of a new and improved ring-closing methodology for the assembly of the hexahydro-pyrazino[1,2-a]indole scaffold, which is based on intramolecular CH insertion of a carbene. The compounds act as dual serotonin 5-HT2C- and 5-HT6-ligands. (c) 2010 Elsevier Ltd. All rights reserved.