4-nitro-[1]naphthoic acid methyl ester | 35616-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-nitro-[1]naphthoic acid methyl ester
• 英文别名: 4-Nitro-[1]naphthoesaeure-methylester；4-Nitro-1-naphthalenecarboxylic acid methyl ester；4-Nitro-naphthoesaeure-1-methylester；4-Nitro-naphthalinsaeuremethylester；Methyl 4-nitro-1-naphthoate；methyl 4-nitronaphthalene-1-carboxylate
• CAS: 35616-00-3
• 化学式: C₁₂H₉NO₄
• 分子量: 231.208
• InChiKey: SJASDMCQHWUAPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 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：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-nitro-[1]naphthoic acid methyl ester 在 钯 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以to give the title compound (80 mg)的产率得到4-氨基萘-1-羧酸甲酯
  参考文献：
  名称：

  Bicyclic modulators of androgen receptor function

  摘要：

  该发明提供了I式化合物，其中取代基如本文所述。进一步提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，如肌肉萎缩症等，还提供了含有这些化合物的制药组合物。

  公开号：

  US06992102B2
• 作为产物：
  描述：

  甲醇 、 4-硝基-1,8-萘醛酸酐 生成 4-nitro-[1]naphthoic acid methyl ester 、 5-硝基萘-1-羧酸甲酯
  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

• [EN] BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION<br/>[FR] MODULATEURS BICYCLIQUES DE LA FONCTION DU RECEPTEUR ANDROGENE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003011824A1

  公开（公告）日：2003-02-13

  The invention provides compounds of the formula I [INSERT CHEMICAL STRUCTURE HERE]wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia, and also provided are pharmaceutical compositions containing such compounds.

  本发明提供了化合物I的公式[插入化学结构]，其中取代基如本文所述。还提供了使用这些化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌肉萎缩症，还提供了含有这些化合物的制药组合物。
• BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION
  申请人：Bristol-Myers Squibb Company

  公开号：EP1414795A1

  公开（公告）日：2004-05-06
• EP1414795A4
  申请人：——

  公开号：EP1414795A4

  公开（公告）日：2006-03-01
• US6670386B2
  申请人：——

  公开号：US6670386B2

  公开（公告）日：2003-12-30
• US6992102B2
  申请人：——

  公开号：US6992102B2

  公开（公告）日：2006-01-31