3-Ethoxycarbonyloxy-5-ethyl-4-(2-hydroxy-naphthalen-1-yl)-benzoic acid methyl ester | 198993-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-Ethoxycarbonyloxy-5-ethyl-4-(2-hydroxy-naphthalen-1-yl)-benzoic acid methyl ester
• CAS: 198993-96-3
• 化学式: C₂₃H₂₂O₆
• 分子量: 394.424
• InChiKey: YCUJNFWWBDPYTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.06
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-Ethoxycarbonyloxy-5-ethyl-4-(2-hydroxy-naphthalen-1-yl)-benzoic acid methyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以96%的产率得到methyl 3-ethyl-5-hydroxy-4-(2-hydroxynaphthalen-1-yl)benzoate
  参考文献：
  名称：

  Recent progress on the iterative construction of 4-substituted-3-hydroxy benzoic acids from unsaturated aldehydes and dimethyl succinate

  摘要：

  An improvement of a known two step cyclization procedure affording 4-aryl-3-hydroxy benzoic acid derivatives from 3-aryl-2,3-unsaturated aldehydes and dimethyl succinate is described. The high versatility of the synthetic procedure is shown as the aryl substituent can be a benzene or naphthalene moiety or an heteroaromatic ring. It can be applied iteratively to prepare p,p-oligophehyl derivatives. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)01054-5
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 、 sodium methylate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 1.0h， 生成 3-Ethoxycarbonyloxy-5-ethyl-4-(2-hydroxy-naphthalen-1-yl)-benzoic acid methyl ester
  参考文献：
  名称：

  Recent progress on the iterative construction of 4-substituted-3-hydroxy benzoic acids from unsaturated aldehydes and dimethyl succinate

  摘要：

  An improvement of a known two step cyclization procedure affording 4-aryl-3-hydroxy benzoic acid derivatives from 3-aryl-2,3-unsaturated aldehydes and dimethyl succinate is described. The high versatility of the synthetic procedure is shown as the aryl substituent can be a benzene or naphthalene moiety or an heteroaromatic ring. It can be applied iteratively to prepare p,p-oligophehyl derivatives. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)01054-5