2,3,6,7,10,11-hexa(carboxy(methyl)methoxy)triphenylene | 1161012-00-5

• 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: 2,3,6,7,10,11-hexa(carboxy(methyl)methoxy)triphenylene
• 英文别名: 2-[3,6,7,10,11-Pentakis(1-carboxyethoxy)triphenylen-2-yl]oxypropanoic acid
• CAS: 1161012-00-5
• 化学式: C₃₆H₃₆O₁₈
• 分子量: 756.671
• InChiKey: JVISFYSBFPGOMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  54
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  279
• 氢给体数：
  6
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  2,3,6,7,10,11-hexa(methoxycarbonyl(methyl)methoxy)triphenylene 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以90%的产率得到2,3,6,7,10,11-hexa(carboxy(methyl)methoxy)triphenylene
  参考文献：
  名称：

  A Hydrosoluble Triphenylene That Preferentially Binds Acetylcholine, Epibatidine, and Nicotine

  摘要：

  Synthesis and binding properties of a new hydrosoluble triphenylene 1b are reported. Selective recognition of acetylcholine (ACh) against other aliphatic ammoniums is achieved by this flat receptor, which also forms complexes with epibatidine and nicotine. Ionic pairing and hydrophobic effects between host 1b and ACh are studied by infrared spectroscopy.

  DOI：

  10.1021/jo900683x

文献信息

• A Hydrosoluble Triphenylene That Preferentially Binds Acetylcholine, Epibatidine, and Nicotine
  作者：Cécile Givelet、Thierry Buffeteau、Françoise Arnaud-Neu、Véronique Hubscher-Bruder、Brigitte Bibal

  DOI：10.1021/jo900683x

  日期：2009.7.17

  Synthesis and binding properties of a new hydrosoluble triphenylene 1b are reported. Selective recognition of acetylcholine (ACh) against other aliphatic ammoniums is achieved by this flat receptor, which also forms complexes with epibatidine and nicotine. Ionic pairing and hydrophobic effects between host 1b and ACh are studied by infrared spectroscopy.