8-溴-4-甲氧基-7-(苯基甲氧基)-2-萘羧酸甲酯 | 740836-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 8-溴-4-甲氧基-7-(苯基甲氧基)-2-萘羧酸甲酯
• 英文名称: 7-Benzyloxy-8-bromo-4-methoxy-naphthalene-2-carboxylic acid methyl ester
• 英文别名: 2-Naphthalenecarboxylic acid, 8-bromo-4-methoxy-7-(phenylmethoxy)-, methyl ester；methyl 8-bromo-4-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
• CAS: 740836-61-7
• 化学式: C₂₀H₁₇BrO₄
• 分子量: 401.257
• InChiKey: REPIYDJZXZAWTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-溴-4-甲氧基-7-(苯基甲氧基)-2-萘羧酸甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到(7-Benzyloxy-8-bromo-4-methoxy-naphthalen-2-yl)-methanol
  参考文献：
  名称：

  Unforeseen formation of 2-bromo-3-hydroxybenzaldehyde by bromination of 3-hydroxybenzaldehyde

  摘要：

  Contrary to literature reports, bromination of 3-hydroxybenzaldehyde can afford both 2-bromo-5-hydroxybenzaldehyde and 2-bromo-3-hydroxybenzaldehyde, but 4-bromo-3-hydroxybenzaldehyde was not detected. 2-Bromo-3-hydroxybenzaldehyde was converted into 2-(benzyloxy)-1-bromo-5-methoxy-7-methylnaphthalene. X-ray crystallographic analysis supports the identity of 2-bromo-3-hydroxybenzaldehyde. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.174
• 作为产物：
  描述：

  4-(3-(benzyloxy)-2-bromophenyl)-3-(methoxycarbonyl)but-3-enoic acid 在 氢氧化钾 、 sodium acetate 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 8-溴-4-甲氧基-7-(苯基甲氧基)-2-萘羧酸甲酯
  参考文献：
  名称：

  Unforeseen formation of 2-bromo-3-hydroxybenzaldehyde by bromination of 3-hydroxybenzaldehyde

  摘要：

  Contrary to literature reports, bromination of 3-hydroxybenzaldehyde can afford both 2-bromo-5-hydroxybenzaldehyde and 2-bromo-3-hydroxybenzaldehyde, but 4-bromo-3-hydroxybenzaldehyde was not detected. 2-Bromo-3-hydroxybenzaldehyde was converted into 2-(benzyloxy)-1-bromo-5-methoxy-7-methylnaphthalene. X-ray crystallographic analysis supports the identity of 2-bromo-3-hydroxybenzaldehyde. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.174

文献信息

• Unforeseen formation of 2-bromo-3-hydroxybenzaldehyde by bromination of 3-hydroxybenzaldehyde
  作者：Willem A.L. van Otterlo、Joseph P. Michael、Manuel A. Fernandes、Charles B. de Koning

  DOI：10.1016/j.tetlet.2004.04.174

  日期：2004.6

  Contrary to literature reports, bromination of 3-hydroxybenzaldehyde can afford both 2-bromo-5-hydroxybenzaldehyde and 2-bromo-3-hydroxybenzaldehyde, but 4-bromo-3-hydroxybenzaldehyde was not detected. 2-Bromo-3-hydroxybenzaldehyde was converted into 2-(benzyloxy)-1-bromo-5-methoxy-7-methylnaphthalene. X-ray crystallographic analysis supports the identity of 2-bromo-3-hydroxybenzaldehyde. (C) 2004 Elsevier Ltd. All rights reserved.