3-甲氧基-1-萘甲酸甲酯 | 33295-56-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 3-甲氧基-1-萘甲酸甲酯
• 英文名称: Methyl 3-methoxy-1-naphthoate
• 英文别名: methyl 3-methoxynaphthalene-1-carboxylate
• CAS: 33295-56-6
• 化学式: C₁₃H₁₂O₃
• 分子量: 216.236
• InChiKey: BEBCQOOSNKBJHU-UHFFFAOYSA-N

物化性质

• 沸点：
  349.5±15.0 °C(Predicted)
• 密度：
  1.166±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-甲氧基-1-萘甲酸甲酯 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 1-Dimethylaminomethyl-3-methoxy-naphthalene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Horii,Z.-I. et al., Chemical and pharmaceutical bulletin, 1971, vol. 19, p. 1245 - 1256

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 3-methoxy-1,8-naphthalic anhydride 生成 3-甲氧基-1-萘甲酸甲酯 、 6-methoxy-1-naphthalenecarboxylic acid methyl ester
  参考文献：
  名称：

  The mercury-mediated decarboxylation (Pesci reaction) of naphthoic anhydrides investigated by microwave synthesis

  摘要：

  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.

  DOI：

  10.1016/j.tet.2005.12.064

文献信息

• N-(2-phenyl-4-piperidinybutyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxamides and their use as neurokinin 1 (NK1) and/or neurokinin 2 (NK2) receptor antagonists
  申请人：Astrazeneca AB

  公开号：US06403601B1

  公开（公告）日：2002-06-11

  Compounds of formula (I), wherein R2 is a 5,6,7,8-tetrahydronaphth-1-yl group which may be substituted (the remaining groups defined herein), and pharmaceutical compositions containing the compounds and methods of using the compounds in the treatment of a condition where antagonism of the NK1 and/or NK2 receptors is beneficial.

  式(I)的化合物，其中R2是5,6,7,8-四氢萘-1-基基团，该基团可以被取代（其余在此定义的基团），以及含有该化合物的制药组合物和使用该化合物治疗拮抗NK1和/或NK2受体有益的疾病的方法。
• N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS
  申请人：AstraZeneca AB

  公开号：EP1137637A1

  公开（公告）日：2001-10-04
• PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES
  申请人：MASARYKOVA UNIVERZITA

  公开号：US20170197966A1

  公开（公告）日：2017-07-13

  The invention provides compounds represented by the structural formula (1): wherein R 1 , R 2 , R 3 and R 4 are as defined in the claims. The compounds are inhibitors of nucleases, and are useful in particular in a method of treatment and/or prevention of proliferative diseases, neurodegenerative diseases, and other genomic instability associated diseases.
• US6403601B1
  申请人：——

  公开号：US6403601B1

  公开（公告）日：2002-06-11
• US9969741B2
  申请人：——

  公开号：US9969741B2

  公开（公告）日：2018-05-15