tetramethyl (2β,3α,4α,8α,9α,10β,12β,13α,14β,17β,18α,19β)-6(2'-tert-butoxycarbonylaminoethyl)-6-aza-21-oxa-5,7-dioxo-octacyclo[9.8.1.1(3,9).1(13,18).0(2,10).0(4,8).0(12,19).0(14,17)]docosa-15-ene-1,11,15,16-tetracarboxylate | 1257092-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: tetramethyl (2β,3α,4α,8α,9α,10β,12β,13α,14β,17β,18α,19β)-6(2'-tert-butoxycarbonylaminoethyl)-6-aza-21-oxa-5,7-dioxo-octacyclo[9.8.1.1(3,9).1(13,18).0(2,10).0(4,8).0(12,19).0(14,17)]docosa-15-ene-1,11,15,16-tetracarboxylate
• 英文别名: tetramethyl (1S,2R,3S,4R,8S,9R,10S,11R,12R,13R,14S,17R,18S,19S)-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5,7-dioxo-20-oxa-6-azaoctacyclo[9.8.1.13,9.113,18.02,10.04,8.012,19.014,17]docos-15-ene-1,11,15,16-tetracarboxylate
• CAS: 1257092-91-3
• 化学式: C₃₅H₄₂N₂O₁₃
• 分子量: 698.724
• InChiKey: PDXSPWPSSVASNK-GZKZVRKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  50
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  190
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  dimethyl (2β,3α,4α,8α,9α,10β,12β,13α,16α,17β)-6-tert-butoxycarbonylaminoethyl-6-aza-19-oxa-5,7-dioxoheptacyclo[9.6.1.1(3,9).1(13,16).0(2,10).0(4,8).0(12,17)]icosa-14-ene-1,11-dicarboxylate 、 丁炔二酸二甲酯 在 RuH₂(CO)(PPh₃)₃ 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.03h， 以85%的产率得到tetramethyl (2β,3α,4α,8α,9α,10β,12β,13α,14β,17β,18α,19β)-6(2'-tert-butoxycarbonylaminoethyl)-6-aza-21-oxa-5,7-dioxo-octacyclo[9.8.1.1(3,9).1(13,18).0(2,10).0(4,8).0(12,19).0(14,17)]docosa-15-ene-1,11,15,16-tetracarboxylate
  参考文献：
  名称：

  Rapid synthesis of cyclobutene diesters using a microwave-accelerated ruthenium-catalysed [2+2] cycloaddition

  摘要：

  A range of cyclobutene diesters was synthesised using a ruthenium-catalysed, microwave-assisted, [2+2] cycloaddition. Excellent yields of the desired products were realised using reaction times of only 2 min. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.119

文献信息

• Rapid synthesis of cyclobutene diesters using a microwave-accelerated ruthenium-catalysed [2+2] cycloaddition
  作者：Mark D. Johnstone、Adam J. Lowe、Luke C. Henderson、Frederick M. Pfeffer

  DOI：10.1016/j.tetlet.2010.08.119

  日期：2010.11

  A range of cyclobutene diesters was synthesised using a ruthenium-catalysed, microwave-assisted, [2+2] cycloaddition. Excellent yields of the desired products were realised using reaction times of only 2 min. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.