1-Hexyl-4-(4-isocyanophenyl)bicyclo[2.2.2]octane | 478336-52-6

• 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: 1-Hexyl-4-(4-isocyanophenyl)bicyclo[2.2.2]octane
• CAS: 478336-52-6
• 化学式: C₂₁H₂₉N
• 分子量: 295.468
• InChiKey: AIMRWHNIALEMGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  4.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  正己胺 、 邻羧基苯甲醛 、 1-Hexyl-4-(4-isocyanophenyl)bicyclo[2.2.2]octane 以 甲醇 为溶剂， 以86%的产率得到2-Hexyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylic acid [4-(4-hexyl-bicyclo[2.2.2]oct-1-yl)-phenyl]-amide
  参考文献：
  名称：

  A polymer-Supported [1,3,2]Oxazaphospholidine for the conversion of isothiocyanates to isocyanides and Their subsequent use in an ugi reaction

  摘要：

  The design and synthesis of a new polymer supported reagent for the clean conversion of isothiocyanates to isocyanides under microwave conditions was accomplished. The structurally diverse isocyanides generated were used in an Ugi 3CC, allowing the rapid generation of 2-isoindolinone-7-carboxamide analogues. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00269-x
• 作为产物：
  描述：

  1-己基-4-(4-异硫氰基苯基)二环[2.2.2]辛烷 在 3-polystyrylmethyl-2-phenyl[1,3,2]oxazaphospholidine 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以96%的产率得到1-Hexyl-4-(4-isocyanophenyl)bicyclo[2.2.2]octane
  参考文献：
  名称：

  A polymer-Supported [1,3,2]Oxazaphospholidine for the conversion of isothiocyanates to isocyanides and Their subsequent use in an ugi reaction

  摘要：

  The design and synthesis of a new polymer supported reagent for the clean conversion of isothiocyanates to isocyanides under microwave conditions was accomplished. The structurally diverse isocyanides generated were used in an Ugi 3CC, allowing the rapid generation of 2-isoindolinone-7-carboxamide analogues. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00269-x