Benzyl 10-methoxy-11-methylidene-6-oxo-1-phenylmethoxybenzo[c][1]benzoxepine-3-carboxylate | 244608-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: Benzyl 10-methoxy-11-methylidene-6-oxo-1-phenylmethoxybenzo[c][1]benzoxepine-3-carboxylate
• CAS: 244608-12-6
• 化学式: C₃₁H₂₄O₆
• 分子量: 492.528
• InChiKey: WUEXSKHDEKQOBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  溴甲苯 、 Benzyl 10-methoxy-11-methylidene-6-oxo-1-phenylmethoxybenzo[c][1]benzoxepine-3-carboxylate 在 氢氧化钾 作用下， 以 乙腈 为溶剂， 以63%的产率得到Benzyl 4-[1-(2-methoxy-6-phenylmethoxycarbonylphenyl)ethenyl]-3,5-bis(phenylmethoxy)benzoate
  参考文献：
  名称：

  Application of an intramolecular Heck reaction for the construction of the balanol aryl core structure

  摘要：

  The highly functionalized aryl core structure of balanol has been synthesized employing a regioselective intramolecular Heck reaction as the key step. This approach can potentially lead to new types of analogues of the potent PKC inhibitor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00907-7
• 作为产物：
  描述：

  2-(3-Methoxy-2-vinylphenyl)-4,4-dimethyl-2-oxazoline 在 四氯化碳 、 bis-triphenylphosphine-palladium(II) chloride 、 sodium hydroxide 、 sodium acetate 、 三苯基膦 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 Benzyl 10-methoxy-11-methylidene-6-oxo-1-phenylmethoxybenzo[c][1]benzoxepine-3-carboxylate
  参考文献：
  名称：

  Application of an intramolecular Heck reaction for the construction of the balanol aryl core structure

  摘要：

  The highly functionalized aryl core structure of balanol has been synthesized employing a regioselective intramolecular Heck reaction as the key step. This approach can potentially lead to new types of analogues of the potent PKC inhibitor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00907-7

文献信息

• Application of an intramolecular Heck reaction for the construction of the balanol aryl core structure
  作者：Marie-Pierre Denieul、Troels Skrydstrup

  DOI：10.1016/s0040-4039(99)00907-7

  日期：1999.6

  The highly functionalized aryl core structure of balanol has been synthesized employing a regioselective intramolecular Heck reaction as the key step. This approach can potentially lead to new types of analogues of the potent PKC inhibitor. (C) 1999 Elsevier Science Ltd. All rights reserved.