dimethyl (2β,3α,4α,8α,9α,10β,12β,13α,16α,17β)-6-tert-butoxycarbonylaminoethyl-14,15-di[(tert-butoxycarbonylamino)ethylcarboxamido]-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 | 1160102-16-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: dimethyl (2β,3α,4α,8α,9α,10β,12β,13α,16α,17β)-6-tert-butoxycarbonylaminoethyl-14,15-di[(tert-butoxycarbonylamino)ethylcarboxamido]-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
• 英文别名: dimethyl (1R,2R,3S,4R,8S,9R,10S,11S,12R,13S,16R,17S)-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-14,15-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-5,7-dioxo-18-oxa-6-azaheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icos-14-ene-1,11-dicarboxylate
• CAS: 1160102-16-8
• 化学式: C₄₅H₆₄N₆O₁₅
• 分子量: 929.034
• InChiKey: MBIWLAHJJHXEQL-UPUVTEKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  66
• 可旋转键数：
  21
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  272
• 氢给体数：
  5
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  dimethyl (2β,3α,4α,8α,9α,10β,12β,13α,16α,17β)-6-tert-butoxycarbonylaminoethyl-14,15-di[(tert-butoxycarbonylamino)ethylcarboxamido]-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 在 Pearlman's catalist 、 氢气 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以98%的产率得到dimethyl (2β,3α,4α,8α,9α,10β,12β,13α,14α,15α,16α,17β)-6-tert-butoxycarbonylaminoethyl-14β,15β-di[(tert-butoxycarbonylamino)ethylcarboxamido]-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-1,11-dicarboxylate
  参考文献：
  名称：

  Binding of the terephthalate dianion by di- tri- and tetrathiourea functionalised fused [3] and [5]polynorbornane based hosts

  摘要：

  新的二硫脲、三硫脲和四硫脲官能化融合[3]和[5]聚降冰片烷基主体1-6对对苯二甲酸酯2−的亲和力与聚降冰片烷支架赋予的预组织裂口/空腔的大小成正比。由于宿主：客体尺寸互补性较高，基于[5]聚降冰片烷框架的受体对阴离子具有更大的亲和力。主体 1-5 与刚性双阴离子形成 1:1 主体：客体复合物，但值得注意的是，主体 6 被发现结合了两个对苯二甲酸酯客体。

  DOI：

  10.1039/b910522k
• 作为产物：
  描述：

  dimethyl (1α,2α,6α,7α,8α,9α,11β,12β)-4-(2'-tert-butoxycarbonylaminoethyl)-4-aza-10-oxapentacyclo[5.5.1.0^2,6.0^8,12.0^9,11]tridecane-3,5-dione-9,11-dicarboxylate 、 di-tert-butyl [norborna-2,5-diene-2,3-diylbis(carbonylimioethane-2,1-diyl)]biscarbamate 以 二氯甲烷 为溶剂， 160.0 ℃ 、1.7 MPa 条件下， 反应 0.17h， 以43%的产率得到dimethyl (2β,3α,4α,8α,9α,10β,12β,13α,16α,17β)-6-tert-butoxycarbonylaminoethyl-14,15-di[(tert-butoxycarbonylamino)ethylcarboxamido]-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
  参考文献：
  名称：

  Microwave-accelerated 1,3-dipolar cycloaddition for the formation of fused [n]polynorbornanes

  摘要：

  Microwave irradiation induces the 1,3-dipolar cycloaddition of cyclobutane epoxides with norbornenes to afford [n]polynorbornane scaffolds. Greatly enhanced reaction rates and significantly reduced levels of decomposition were observed. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.079

文献信息

• Binding of the terephthalate dianion by di- tri- and tetrathiourea functionalised fused [3] and [5]polynorbornane based hosts
  作者：Adam J. Lowe、Frederick M. Pfeffer

  DOI：10.1039/b910522k

  日期：——

  The affinity of new di-, tri- and tetrathiourea functionalised fused [3] and [5]polynorbornane based hosts 1–6 towards terephthalate2− was proportional to the size of the preorganised cleft/cavity imparted by the polynorbornane scaffold. Receptors based on the [5]polynobornane framework had greater affinities for the anion due to a higher degree of host:guest size complementarity. Hosts 1–5 formed 1:1 host:guest complexes with the rigid dianion, yet remarkably, host 6 was found to bind two terephthalate guests.

  新的二硫脲、三硫脲和四硫脲官能化融合[3]和[5]聚降冰片烷基主体1-6对对苯二甲酸酯2−的亲和力与聚降冰片烷支架赋予的预组织裂口/空腔的大小成正比。由于宿主：客体尺寸互补性较高，基于[5]聚降冰片烷框架的受体对阴离子具有更大的亲和力。主体 1-5 与刚性双阴离子形成 1:1 主体：客体复合物，但值得注意的是，主体 6 被发现结合了两个对苯二甲酸酯客体。
• Microwave-accelerated 1,3-dipolar cycloaddition for the formation of fused [n]polynorbornanes
  作者：Richard C. Foitzik、Adam J. Lowe、Frederick M. Pfeffer

  DOI：10.1016/j.tetlet.2009.03.079

  日期：2009.5

  Microwave irradiation induces the 1,3-dipolar cycloaddition of cyclobutane epoxides with norbornenes to afford [n]polynorbornane scaffolds. Greatly enhanced reaction rates and significantly reduced levels of decomposition were observed. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.