8-[(3-Tert-butyl-2-hydroxy-5-methoxyphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione | 947609-54-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 8-[(3-Tert-butyl-2-hydroxy-5-methoxyphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione
• 英文别名: 8-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione
• CAS: 947609-54-3
• 化学式: C₂₆H₃₅N₃O₆
• 分子量: 485.58
• InChiKey: YQGSOPSIZQSPEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 叔丁基对羟基茴香醚 、 2,3-benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione 在 calcium oxide 作用下， 反应 0.33h， 以73%的产率得到8-[(3-Tert-butyl-2-hydroxy-5-methoxyphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione
  参考文献：
  名称：

  Eco-Friendly Synthesis of Novel Lariat Ethers via Mannich Reaction under Solventless Conditions

  摘要：

  An expeditious solventless synthesis of novel lariat ethers using calcium oxide (CaO) via Mannich reaction are herein described. This methodology eliminates the use of excess of solvent during the course of reaction. The reaction time is brought down from hours to minutes (20-30 minutes) along with yield enhancement. The CaO powder can be reused up to three times after simple washing with acetone.

  DOI：

  10.3987/com-07-11044

文献信息

• Eco-Friendly Synthesis of Novel Lariat Ethers via Mannich Reaction under Solventless Conditions
  作者：Hashem Sharghi、Reza Khalifeh

  DOI：10.3987/com-07-11044

  日期：——

  An expeditious solventless synthesis of novel lariat ethers using calcium oxide (CaO) via Mannich reaction are herein described. This methodology eliminates the use of excess of solvent during the course of reaction. The reaction time is brought down from hours to minutes (20-30 minutes) along with yield enhancement. The CaO powder can be reused up to three times after simple washing with acetone.