5,17-Bis(hydroxymethyl)-11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene | 166665-13-0

• 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(hydroxymethyl)-11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene
• 英文别名: [11,23-Ditert-butyl-25,26,27,28-tetrakis(2-ethoxyethoxy)-17-(hydroxymethyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methanol
• CAS: 166665-13-0
• 化学式: C₅₄H₇₆O₁₀
• 分子量: 885.191
• InChiKey: HMCHMYCLAHDETQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  64
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5,17-Bis(hydroxymethyl)-11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene 以63%的产率得到
  参考文献：
  名称：

  Arduini Arturo, Fanni Stefano, Manfredi Giuseppe, Pochini Andrea, Ungaro +, J, Org. Chem, 60 (1995) N 5, S 1448-1453

  摘要：

  DOI：
• 作为产物：
  描述：

  5,17-Diformyl-11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 5,17-Bis(hydroxymethyl)-11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene
  参考文献：
  名称：

  Direct Regioselective Formylation of Tetraalkoxycalix[4]arenes Fixed in the Cone Conformation and Synthesis of New Cavitands

  摘要：

  Regioselectivity of the formylation of tetraalkoxycalix[4]arene fixed in the cone conformation has been studied. Direct, diametrical (1,3) diformylation of calix[4]arenes having four chelating chains at the lower rim has been achieved. Simple tetraalkoxycalix[4]arenes produce a mixture of diametrical (1,3) and proximal (1,2) diformylated products. The (1,3) functionalized compounds have been used for the synthesis of double calix[4]arenes 12a,d linked via the upper rim. The residual mobility of these cone conformers is indicated by the X-ray crystal structure of compound 12d, which shows a flattened cone conformation, and by the reactive behavior of 1,3-bis(hydroxymethyl) derivatives 9a,d which give very distorted 1,3-bridged compounds 11a,d, through an intramolecular cyclization process.

  DOI：

  10.1021/jo00110a054