(4'R,5'R)-25,27-dihydroxy-26,28-(4',5'-di-1-methylethoxycarbonyl-3',6'-dioxa-2',7'-dioxooctylene)-dioxycalix<4>arene | 226710-58-3

• 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: (4'R,5'R)-25,27-dihydroxy-26,28-(4',5'-di-1-methylethoxycarbonyl-3',6'-dioxa-2',7'-dioxooctylene)-dioxycalix<4>arene
• CAS: 226710-58-3
• 化学式: C₄₂H₄₂O₁₂
• 分子量: 738.788
• InChiKey: ZKMINUHHOVLNTD-XRSDMRJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  54.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  164.12
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  (4'R,5'R)-25,27-dihydroxy-26,28-(4',5'-di-1-methylethoxycarbonyl-3',6'-dioxa-2',7'-dioxooctylene)-dioxycalix<4>arene 在 硝酸 、 溶剂黄146 作用下， 反应 2.0h， 以85%的产率得到(40R,50R)-5,17-dinitro-25,27-dihydroxy-26,28-(40,50-di-1-methylethoxycarbonyl-30,60-dioxa-20,70-dioxooctylene)-dioxycalix[4]arene
  参考文献：
  名称：

  Synthesis and chiral recognition properties of two novel chiral calix[4]arene tartaric ester derivatives

  摘要：

  Two new chiral calix[4]arene derivatives containing tartaric acid ester moieties were synthesized. The chiral calix[4]arenes are in a 'cone' conformation according to NMR spectroscopy. The chiral recognition capabilities of 1-4 toward the guests, 1,2-propanediol and serine methyl ester hydrochloride (SerOMe), were investigated (H-1 NMR spectroscopy). The extraction properties of compounds 1 and 2 toward selected alpha-amino acid methyl esters were also studied. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.07.011
• 作为产物：
  描述：

  L-(+)-酒石酸二异丙酯 在 吡啶 、 potassium carbonate 、 potassium iodide 作用下， 以 氯仿 、 丙酮 、 甲苯 为溶剂， 反应 53.0h， 生成 (4'R,5'R)-25,27-dihydroxy-26,28-(4',5'-di-1-methylethoxycarbonyl-3',6'-dioxa-2',7'-dioxooctylene)-dioxycalix<4>arene
  参考文献：
  名称：

  Synthesis of chiral calix[4]arenes bearing tartaric ester moieties

  摘要：

  The synthesis of chiral calix[4]arenes with tartaric acid ester moieties has been achieved by the reactions of tartaric ester chloroacetates with calix[4]arenes in moderate yields. All the chiral calix[4]arene derivatives are in a cone conformation according to the H-1 NMR doublet-doublet pattern of the protons of the methylene groups between the phenol rings. The results of NMR and specific rotations indicate that the molecules have Ct symmetry with asymmetric features. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00007-5