2-methylprop-2-enyl 2-hydroxy-5-(2-methylprop-2-enyloxy)benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methylprop-2-enyl 2-hydroxy-5-(2-methylprop-2-enyloxy)benzoate
• 英文别名: 2-Methylprop-2-enyl 2-hydroxy-5-(2-methylprop-2-enoxy)benzoate
• 化学式: C₁₅H₁₈O₄
• 分子量: 262.306
• InChiKey: XUWZKTQJJFODHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methylprop-2-enyl 2-hydroxy-5-(2-methylprop-2-enyloxy)benzoate 反应 18.0h， 生成 3,6-Dihydroxy-2-(2-methyl-allyl)-benzoic acid 2-methyl-allyl ester
  参考文献：
  名称：

  The synthesis of isochroman-4-ols and isochroman-3-ols: models for naturally occurring benzo[g]isochromanols

  摘要：

  The synthesis of isochromanes containing hydroxy substituents at the 4- and 3-positions has been achieved. The key step for the synthesis of the isochroman-4-ols entailed an oxidative mercury mediated ring closure of 2-(prop-1-enyl)phenylmethanol derivatives, while in the synthesis of the isochroman-3-ols the key step involved ozonolysis of 2-(prop-2-enyl)phenylmethanol derivatives. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00963-2
• 作为产物：
  描述：

  2,5-二羟基苯甲酸 、 3-氯-2-甲基丙烯 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 12.0h， 以50%的产率得到2-methylprop-2-enyl 2-hydroxy-5-(2-methylprop-2-enyloxy)benzoate
  参考文献：
  名称：

  The synthesis of isochroman-4-ols and isochroman-3-ols: models for naturally occurring benzo[g]isochromanols

  摘要：

  The synthesis of isochromanes containing hydroxy substituents at the 4- and 3-positions has been achieved. The key step for the synthesis of the isochroman-4-ols entailed an oxidative mercury mediated ring closure of 2-(prop-1-enyl)phenylmethanol derivatives, while in the synthesis of the isochroman-3-ols the key step involved ozonolysis of 2-(prop-2-enyl)phenylmethanol derivatives. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00963-2

文献信息

• The synthesis of isochroman-4-ols and isochroman-3-ols: models for naturally occurring benzo[g]isochromanols
  作者：Charles B de Koning、Ivan R Green、Joseph P Michael、José R Oliveira

  DOI：10.1016/s0040-4020(01)00963-2

  日期：2001.11

  The synthesis of isochromanes containing hydroxy substituents at the 4- and 3-positions has been achieved. The key step for the synthesis of the isochroman-4-ols entailed an oxidative mercury mediated ring closure of 2-(prop-1-enyl)phenylmethanol derivatives, while in the synthesis of the isochroman-3-ols the key step involved ozonolysis of 2-(prop-2-enyl)phenylmethanol derivatives. (C) 2001 Elsevier Science Ltd. All rights reserved.