5,17-Bis(chloromethyl)-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene | 155939-39-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,17-Bis(chloromethyl)-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
• CAS: 155939-39-2
• 化学式: C₄₂H₅₀Cl₂O₈
• 分子量: 753.76
• InChiKey: PMQHYUKONLZWFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  52
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,17-Bis(chloromethyl)-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene 、 乙酰丙酮 在 potassium tert-butylate 、 potassium iodide 作用下， 以 叔丁醇 为溶剂， 以74.6%的产率得到3-[[17-(2-Acetyl-3-oxobutyl)-25,26,27,28-tetrakis(2-methoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]pentane-2,4-dione
  参考文献：
  名称：

  Synthesis of and amine recognition with a Cu(II)-bridged biscalix[4]arene

  摘要：

  A biscalix[4]arene (7) in which the upper rims are linked by two Cu(II)-chelate complexes has been synthesized. This is a novel method for the synthesis of biscalix[4]arenes using the self-association nature of metal ligands. Compound 7 recognized diamine substrates using a cavity composed of two Cu(II)-chelate complexes.

  DOI：

  10.1016/s0040-4039(00)76659-7
• 作为产物：
  描述：

  25,26,27,28-tetrakis(methoxyethoxy)calix[4]arene 在 sodium tetrahydroborate 、 氯化亚砜 、 四氯化锡 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 5,17-Bis(chloromethyl)-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
  参考文献：
  名称：

  Synthesis of and amine recognition with a Cu(II)-bridged biscalix[4]arene

  摘要：

  A biscalix[4]arene (7) in which the upper rims are linked by two Cu(II)-chelate complexes has been synthesized. This is a novel method for the synthesis of biscalix[4]arenes using the self-association nature of metal ligands. Compound 7 recognized diamine substrates using a cavity composed of two Cu(II)-chelate complexes.

  DOI：

  10.1016/s0040-4039(00)76659-7

文献信息

• Synthesis of and amine recognition with a Cu(II)-bridged biscalix[4]arene
  作者：Kiyoshi Fujimoto、Seiji Shinkai

  DOI：10.1016/s0040-4039(00)76659-7

  日期：1994.5

  A biscalix[4]arene (7) in which the upper rims are linked by two Cu(II)-chelate complexes has been synthesized. This is a novel method for the synthesis of biscalix[4]arenes using the self-association nature of metal ligands. Compound 7 recognized diamine substrates using a cavity composed of two Cu(II)-chelate complexes.