2,2-Bis(prop-2-enoyloxymethyl)butyl 3-[16-[3-[2,2-bis(prop-2-enoyloxymethyl)butoxy]-3-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoate | 863497-98-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,2-Bis(prop-2-enoyloxymethyl)butyl 3-[16-[3-[2,2-bis(prop-2-enoyloxymethyl)butoxy]-3-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoate
• 英文别名: 2,2-bis(prop-2-enoyloxymethyl)butyl 3-[16-[3-[2,2-bis(prop-2-enoyloxymethyl)butoxy]-3-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoate
• CAS: 863497-98-7
• 化学式: C₄₂H₆₆N₂O₁₆
• 分子量: 854.99
• InChiKey: KOCXLBBWQKZAHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  60
• 可旋转键数：
  30
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  201
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2,2-Bis(prop-2-enoyloxymethyl)butyl 3-[16-[3-[2,2-bis(prop-2-enoyloxymethyl)butoxy]-3-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoate 、 氮杂-15-冠醚-5 以 甲醇 为溶剂， 反应 30.0h， 以61%的产率得到2,2-Bis[3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoyloxymethyl]butyl 3-[16-[3-[2,2-bis[3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoyloxymethyl]butoxy]-3-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoate
  参考文献：
  名称：

  Synthesis and characterization of novel ionophores of double-armed penta-crown ethers

  摘要：

  Unique structures of novel ionophores of double-armed penta-crown ethers were successfully synthesized. Diaza 18-crown-6 was designed as the parent crown ring. The penta-crown ethers were prepared by the reaction of trimethylolpropane triacrylate (TMPTA) with diaza 18-crown-6 and further with 1-aza crown ethers through the Michael reaction. The newly synthesized penta-crown ethers were characterized by H-1 NMR, C-13 NMR, FAB mass spectrum, IR and elemental analyses, respectively. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.006
• 作为产物：
  描述：

  三羟甲基丙烷 以 吡啶 、 甲醇 、 苯 为溶剂， 反应 60.0h， 生成 2,2-Bis(prop-2-enoyloxymethyl)butyl 3-[16-[3-[2,2-bis(prop-2-enoyloxymethyl)butoxy]-3-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoate
  参考文献：
  名称：

  Synthesis and characterization of novel ionophores of double-armed penta-crown ethers

  摘要：

  Unique structures of novel ionophores of double-armed penta-crown ethers were successfully synthesized. Diaza 18-crown-6 was designed as the parent crown ring. The penta-crown ethers were prepared by the reaction of trimethylolpropane triacrylate (TMPTA) with diaza 18-crown-6 and further with 1-aza crown ethers through the Michael reaction. The newly synthesized penta-crown ethers were characterized by H-1 NMR, C-13 NMR, FAB mass spectrum, IR and elemental analyses, respectively. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.006

文献信息

• Synthesis and characterization of novel ionophores of double-armed penta-crown ethers
  作者：Zhi Bin Huang、Seung Hyun Chang

  DOI：10.1016/j.tetlet.2005.06.006

  日期：2005.8

  Unique structures of novel ionophores of double-armed penta-crown ethers were successfully synthesized. Diaza 18-crown-6 was designed as the parent crown ring. The penta-crown ethers were prepared by the reaction of trimethylolpropane triacrylate (TMPTA) with diaza 18-crown-6 and further with 1-aza crown ethers through the Michael reaction. The newly synthesized penta-crown ethers were characterized by H-1 NMR, C-13 NMR, FAB mass spectrum, IR and elemental analyses, respectively. (c) 2005 Elsevier Ltd. All rights reserved.