4-Methylidene-2,6,17,20,23,26,29-heptaoxapentacyclo[28.8.0.07,16.09,14.032,37]octatriaconta-1(38),7,9,11,13,15,30,32,34,36-decaene | 303181-07-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-Methylidene-2,6,17,20,23,26,29-heptaoxapentacyclo[28.8.0.07,16.09,14.032,37]octatriaconta-1(38),7,9,11,13,15,30,32,34,36-decaene
• CAS: 303181-07-9
• 化学式: C₃₂H₃₄O₇
• 分子量: 530.618
• InChiKey: IBSLMXCTFRAJIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  39
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-Methylidene-2,6,17,20,23,26,29-heptaoxapentacyclo[28.8.0.07,16.09,14.032,37]octatriaconta-1(38),7,9,11,13,15,30,32,34,36-decaene 以 萘烷 为溶剂， 反应 1.33h， 以52%的产率得到3-methylidene-5,16,19,22,25,28-hexaoxapentacyclo[27.7.1.06,15.08,13.031,36]heptatriaconta-1(37),6,8,10,12,14,29,31,33,35-decaen-37-ol
  参考文献：
  名称：

  Stepwise synthesis of crownophanes having either one or two hydroxy groups via Claisen rearrangement

  摘要：

  Bis(naphthyl)crownophanes having an isobutenyl group and different ring size were synthesized. By control of the reaction temperature and time, both the first-step product having one hydroxyl group and the second-step product having two hydroxy groups can be isolated in high yields. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01681-6
• 作为产物：
  描述：

  在 盐酸 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-Methylidene-2,6,17,20,23,26,29-heptaoxapentacyclo[28.8.0.07,16.09,14.032,37]octatriaconta-1(38),7,9,11,13,15,30,32,34,36-decaene
  参考文献：
  名称：

  Stepwise synthesis of crownophanes having either one or two hydroxy groups via Claisen rearrangement

  摘要：

  Bis(naphthyl)crownophanes having an isobutenyl group and different ring size were synthesized. By control of the reaction temperature and time, both the first-step product having one hydroxyl group and the second-step product having two hydroxy groups can be isolated in high yields. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01681-6