3,10-Dibenzyl-13,14,15,16-tetramethyl-3,10-diaza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-5,7-diyne-2,11-dione | 808770-47-0

• 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: 3,10-Dibenzyl-13,14,15,16-tetramethyl-3,10-diaza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-5,7-diyne-2,11-dione
• 英文别名: 3,10-Dibenzyl-13,14,15,16-tetramethyl-3,10-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-5,7-diyne-2,11-dione
• CAS: 808770-47-0
• 化学式: C₃₂H₃₀N₂O₂
• 分子量: 474.602
• InChiKey: JMTFAZVPFKKCON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,10-Dibenzyl-13,14,15,16-tetramethyl-3,10-diaza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-5,7-diyne-2,11-dione 在 Crabtree's catalyst 氢气 作用下， 以 二氯甲烷 为溶剂， 生成 3,10-Dibenzyl-13,14,15,16-tetramethyl-3,10-diaza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-2,11-dione
  参考文献：
  名称：

  [10]Paracyclophanediamides and their octadehydro derivatives: novel exotopic receptors with hydrogen-bonding sites on the bridge

  摘要：

  2,9-Diaza-1,10-dioxo[10]paracyclophanes were prepared in short steps from the terephthaloyl chlorides via the corresponding 4,6-diyne derivatives, and the amide groups on the bridge endow the skeleton with the guest-binding properties as demonstrated by complexation with adrenaline by hydrogen bonds. The chiral auxiliaries on the bridge induce diastereomeric preference in terms of the planar chirality for the octadehydro derivative with a rigid diyne unit in crystal. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.115
• 作为产物：
  描述：

  N,N'-Dibenzyl-2,3,5,6-tetramethyl-N,N'-di-prop-2-ynyl-terephthalamide 在 吡啶 、 copper diacetate 作用下， 以 乙腈 为溶剂， 生成 3,10-Dibenzyl-13,14,15,16-tetramethyl-3,10-diaza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-5,7-diyne-2,11-dione
  参考文献：
  名称：

  [10]Paracyclophanediamides and their octadehydro derivatives: novel exotopic receptors with hydrogen-bonding sites on the bridge

  摘要：

  2,9-Diaza-1,10-dioxo[10]paracyclophanes were prepared in short steps from the terephthaloyl chlorides via the corresponding 4,6-diyne derivatives, and the amide groups on the bridge endow the skeleton with the guest-binding properties as demonstrated by complexation with adrenaline by hydrogen bonds. The chiral auxiliaries on the bridge induce diastereomeric preference in terms of the planar chirality for the octadehydro derivative with a rigid diyne unit in crystal. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.115