3-(toluene-4-sulfonyl)-3,6,6a,7,9,10-hexahydro-3,8,10a-triazacyclopenta[c]fluorene-8-carboxylic acid benzyl ester | 1258408-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(toluene-4-sulfonyl)-3,6,6a,7,9,10-hexahydro-3,8,10a-triazacyclopenta[c]fluorene-8-carboxylic acid benzyl ester
• 英文别名: Benzyl 5-(4-methylphenyl)sulfonyl-5,13,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7-tetraene-13-carboxylate
• CAS: 1258408-32-0
• 化学式: C₂₈H₂₇N₃O₄S
• 分子量: 501.606
• InChiKey: FVJQCRLTMHQNKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(toluene-4-sulfonyl)-3,6,6a,7,9,10-hexahydro-3,8,10a-triazacyclopenta[c]fluorene-8-carboxylic acid benzyl ester 在 甲醇 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以73%的产率得到3,6,6a,7,9,10-hexahydro-3,8,10a-triaza-cyclopenta[c]fluorene-8-carboxylic acid benzyl ester
  参考文献：
  名称：

  Syntheses of aza-analogous iso-ergoline scaffolds using carbene mediated C–H insertion

  摘要：

  A novel direct flexible and robust approach to the iso-ergoline tetracyclic system in which a five or six-membered ring is established by intramolecular carbene C-H insertion is reported The protocol involves a two step conversion of an aromatic aldehyde to the corresponding hydrazone and without purification further conversion to the diazo-compound followed by thermal carbene formation and C-H insertion alpha to a nitrogen (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.09.023
• 作为产物：
  描述：

  在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 0.2h， 生成 3-(toluene-4-sulfonyl)-3,6,6a,7,9,10-hexahydro-3,8,10a-triazacyclopenta[c]fluorene-8-carboxylic acid benzyl ester
  参考文献：
  名称：

  Syntheses of aza-analogous iso-ergoline scaffolds using carbene mediated C–H insertion

  摘要：

  A novel direct flexible and robust approach to the iso-ergoline tetracyclic system in which a five or six-membered ring is established by intramolecular carbene C-H insertion is reported The protocol involves a two step conversion of an aromatic aldehyde to the corresponding hydrazone and without purification further conversion to the diazo-compound followed by thermal carbene formation and C-H insertion alpha to a nitrogen (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.09.023