1-(3-甲氧基-2-硝基苯基)-2-硝基丙醇 | 350821-43-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3-甲氧基-2-硝基苯基)-2-硝基丙醇
• 英文名称: 1-(3-methoxy-2-nitrophenyl)-2-nitropropanol
• 英文别名: 1-(2-nitro-3-methoxyphenyl)-2-nitropropanol；1-(3-methoxy-2-nitrophenyl)-2-nitropropan-1-ol
• CAS: 350821-43-1
• 化学式: C₁₀H₁₂N₂O₆
• 分子量: 256.215
• InChiKey: BSHNNPXCWBEJOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(3-甲氧基-2-硝基苯基)-2-硝基丙醇 在 potassium fluoride 、 palladium on activated charcoal 18-冠醚-6 、 氢气 、 sodium acetate 、 乙酸酐 作用下， 以 乙醇 、 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 67.0h， 生成 7-甲氧基-2-甲基-1H-吲哚
  参考文献：
  名称：

  A General Large Scale Synthesis of 2-Alkyl-7-methoxyindoles

  摘要：

  A general method has been developed for the large scale synthesis of 2-alkyl-7-methoxyindoles and analogs. This method involves an efficient preparation of the key intermediates, 1-(2-nitroaryl)-2-nitroalkanols and 1-(2-nitroaryl)-2-nitroalkenes, and affords 2-alkyl-7-methoxyindoles and analogs in 3 steps with good overall yields.

  DOI：

  10.3987/com-01-9162
• 作为产物：
  描述：

  硝基乙烷 、 3-甲氧基-2-硝基苯甲醛 在 potassium fluoride 、 18-冠醚-6 作用下， 以 异丙醇 为溶剂， 反应 16.0h， 以96%的产率得到1-(3-甲氧基-2-硝基苯基)-2-硝基丙醇
  参考文献：
  名称：

  A General Large Scale Synthesis of 2-Alkyl-7-methoxyindoles

  摘要：

  A general method has been developed for the large scale synthesis of 2-alkyl-7-methoxyindoles and analogs. This method involves an efficient preparation of the key intermediates, 1-(2-nitroaryl)-2-nitroalkanols and 1-(2-nitroaryl)-2-nitroalkenes, and affords 2-alkyl-7-methoxyindoles and analogs in 3 steps with good overall yields.

  DOI：

  10.3987/com-01-9162

文献信息

• Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases
  申请人：——

  公开号：US20020119972A1

  公开（公告）日：2002-08-29

  Use of a compound for treating a respiratory disease in a mammal wherein the compound is a cannabinoid receptor modulator is disclosed. Compounds useful as cannabinoid receptor modulators for treating respiratory and non-respiratory leukocyte-activation associated diseases comprise compounds of formula (I), 1 in which A and B are nitrogen or carbon, provided only one of A and B is nitrogen; and R 1 -R 6 are as defined in the specification, wherein R 2 with R 5 may form a ring, and/or two R 4 groups may form a six-membered aryl or heteroaryl ring, optionally having a substituent R 6 forming a ring with R 3 .

  公开了一种用于治疗哺乳动物呼吸道疾病的化合物，其中该化合物是大麻素受体调节剂。用作治疗呼吸道和非呼吸道白细胞活化相关疾病的大麻素受体调节剂的化合物包括式(I)的化合物，其中A和B是氮或碳，只要A和B中的一个是氮；R1-R6如规范中定义，其中R2和R5可以形成一个环，和/或两个R4基团可以形成一个六元芳基或杂环芳基环，可能有一个取代基R6和R3形成一个环。
• CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES
  申请人：Bristol-Myers Squibb Co.

  公开号：EP1254115A2

  公开（公告）日：2002-11-06
• US6653304B2
  申请人：——

  公开号：US6653304B2

  公开（公告）日：2003-11-25
• [EN] CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES<br/>[FR] MODULATEURS DE RECEPTEURS AUX CANNABINOIDES, LEURS PROCEDES DE PREPARATION ET UTILISATIONS DE MODULATEURS DE RECEPTEURS AUX CANNABINOIDES POUR LE TRAITEMENT DE MALADIES RESPIRATOIRES ET NON RESPIRATOIRES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001058869A2

  公开（公告）日：2001-08-16

  Use of a compound for treating a respiratory disease in a mammal wherein the compound is a cannabinoid receptor modulator is disclosed. Compounds useful as cannabinoid receptor modulators for treating respiratory and non-respiratory leukocyte-activation associated diseases comprise compounds of formula (I), in which A and B are nitrogen or carbon, provided only one of A and B is nitrogen; and R1-R6 are as defined in the specification, wherein R2 with R5 may form a ring, and/or two R4 groups may form a six-membered aryl or heteroaryl ring, optionally having a substituent R6 forming a ring with R3.
• A General Large Scale Synthesis of 2-Alkyl-7-methoxyindoles
  作者：Bang-Chi Chen、John Hynes, Jr.,、Chennagiri R. Pandit、Rulin Zhao、Amanda P. Skoumbourdis、Hong Wu、Joseph E. Sundeen、Katerina Leftheris

  DOI：10.3987/com-01-9162

  日期：——

  A general method has been developed for the large scale synthesis of 2-alkyl-7-methoxyindoles and analogs. This method involves an efficient preparation of the key intermediates, 1-(2-nitroaryl)-2-nitroalkanols and 1-(2-nitroaryl)-2-nitroalkenes, and affords 2-alkyl-7-methoxyindoles and analogs in 3 steps with good overall yields.