5-formyl-31,32,34,35-pentamethoxycalix[5]arene | 301687-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-formyl-31,32,34,35-pentamethoxycalix[5]arene
• 英文别名: 5-formyl-31,32,33,34,35-pentamethoxycalix[5]arene；31,32,33,34,35-Pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-5-carbaldehyde
• CAS: 301687-18-3
• 化学式: C₄₁H₄₀O₆
• 分子量: 628.765
• InChiKey: JCMOJDSHOHBMHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-formyl-31,32,34,35-pentamethoxycalix[5]arene 在 jones reagent 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 1.0h， 生成 5-ethynylcarbonyl-31,32,33,34,35-pentamethoxycalix[5]arene
  参考文献：
  名称：

  Tricalixarenes and Pentacalixarenes:  Synthesis and Complexation Studies¹

  摘要：

  Tricalix[4]arene 4, tricalix[5]arene 14, and pentacalix[4]arene 10 have been synthesized from O-alkylcalixarene mono- and dialdehydes by a two-step conversion to the corresponding monoethynyl ketones or diethynyl ketones followed by aryne trimerization in refluxing DMF containing a dialkylamine. The tricalixarenes 4 and 14 were converted, in turn, to calixarenes 6 and 16, which carry OH groups on the lower rim and methylenes as the bridging moieties to the benzene ring. Complexation studies with the tricalix[5]arene 16 show that it forms (a) a 1:3 complex with N,N-dimethylethylenediamine in which each calixarene unit contains a molecule of the amine, (b) a 1:1 complex with tris(aminomethyl)amine in which each calixarene unit contains one of the three arms of the guest, and (c) a 1:1 complex with C-60 in which the guest presumably resides in the cavity provided by the three calixarene units acting cooperatively.

  DOI：

  10.1021/jo0110808
• 作为产物：
  描述：

  5-(1-propenyl)-31,32,34,35-pentamethoxycalix[5]arene 在 臭氧 、 二甲基硫 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以65%的产率得到5-formyl-31,32,34,35-pentamethoxycalix[5]arene
  参考文献：
  名称：

  Synthesis and Structure of Calixarene−Fullerene Dyads¹

  摘要：

  DOI：

  10.1021/jo000654q

文献信息

• Synthesis and Structure of Calixarene−Fullerene Dyads¹
  作者：Jianshe Wang、C. David Gutsche

  DOI：10.1021/jo000654q

  日期：2000.9.1
• Tricalixarenes and Pentacalixarenes:  Synthesis and Complexation Studies¹
  作者：Jianshe Wang、C. David Gutsche

  DOI：10.1021/jo0110808

  日期：2002.6.1

  Tricalix[4]arene 4, tricalix[5]arene 14, and pentacalix[4]arene 10 have been synthesized from O-alkylcalixarene mono- and dialdehydes by a two-step conversion to the corresponding monoethynyl ketones or diethynyl ketones followed by aryne trimerization in refluxing DMF containing a dialkylamine. The tricalixarenes 4 and 14 were converted, in turn, to calixarenes 6 and 16, which carry OH groups on the lower rim and methylenes as the bridging moieties to the benzene ring. Complexation studies with the tricalix[5]arene 16 show that it forms (a) a 1:3 complex with N,N-dimethylethylenediamine in which each calixarene unit contains a molecule of the amine, (b) a 1:1 complex with tris(aminomethyl)amine in which each calixarene unit contains one of the three arms of the guest, and (c) a 1:1 complex with C-60 in which the guest presumably resides in the cavity provided by the three calixarene units acting cooperatively.