5-Chlor-[1]naphthoesaeure-methylester | 16650-65-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-Chlor-[1]naphthoesaeure-methylester
• 英文别名: Methyl 5-chloronaphthalene-1-carboxylate
• CAS: 16650-65-0
• 化学式: C₁₂H₉ClO₂
• 分子量: 220.655
• InChiKey: MXUGBZRTOXOVNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 5-氯-1-萘酸 在 乙醚 作用下， 生成 5-Chlor-[1]naphthoesaeure-methylester
  参考文献：
  名称：

  取代的正萘甲酸和1-萘甲酸甲酯的偶极矩

  摘要：

  在溶液中测量在各个位置被卤素或硝基取代的1-萘甲酸和1-萘甲酸甲酯的偶极矩。根据羧基的构象，特别是3-，4-，5-和6-取代的衍生物中羧基的平面s-顺式和s-反式构象之间的旋转异构性分析结果。

  DOI：

  10.1016/0040-4020(67)85127-5

文献信息

• The mercury-mediated decarboxylation (Pesci reaction) of naphthoic anhydrides investigated by microwave synthesis
  作者：Jonathan D. Moseley、John P. Gilday

  DOI：10.1016/j.tet.2005.12.064

  日期：2006.5

  The mercury-mediated decarboxylation (Pesci reaction) of several substituted naphthoic anhydrides has been investigated by microwave synthesis. A laboratory microwave reactor was found to be ideal for small-scale preparations of this slow reaction, reducing reaction times from typically four days to less than 1 h for the three-step process. The ionic reaction medium rapidly heated to high temperatures under microwave heating and could be efficiently maintained by low microwave power settings. Generation of stoichiometric CO2 was safely contained within the reaction tubes. A simplified reaction procedure has been developed. For substituted naphthoic anhydrides, H-1 NMR analysis of the naphthoate ester derivatives indicated no change in the regioisomer ratio compared to previously reported thermal values. (c) 2006 Published by Elsevier Ltd.
• Dipole moments of substituted n-naphthoic acids and methyl 1-naphthoates
  作者：T. Fujita、K. Koshimizu、T. Mitsui

  DOI：10.1016/0040-4020(67)85127-5

  日期：1967.1

  The dipole moments of the 1-naphthoic acids and methyl 1-naphthoates substituted at various positions by a halogen or nitro group were measured in solution. The results are analysed in terms of the conformation of the carboxyl group, in particular, the rotational isomerism between planar s-cis and s-trans conformation of the carboxyl group in the 3-, 4-, 5- and 6-substituted derivatives.

  在溶液中测量在各个位置被卤素或硝基取代的1-萘甲酸和1-萘甲酸甲酯的偶极矩。根据羧基的构象，特别是3-，4-，5-和6-取代的衍生物中羧基的平面s-顺式和s-反式构象之间的旋转异构性分析结果。