2-ethyl-4-methyl-6-nitrophenol | 343854-91-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-ethyl-4-methyl-6-nitrophenol
• 英文别名: 6-Nitro-4-methyl-2-ethyl-phenol
• CAS: 343854-91-1
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: QDGFKFKXXCXYOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-ethyl-4-methyl-6-nitrophenol 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 2-Amino-6-ethyl-4-methylphenol
  参考文献：
  名称：

  Regulatory molecules for the 5-HT3 receptor ion channel gating system

  摘要：

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.02.054
• 作为产物：
  描述：

  (1-Ethyl-4-methyl-4-nitrocyclohexa-2,5-dien-1-yl) acetate 、 重水 生成 2-ethyl-4-methyl-6-nitrophenol
  参考文献：
  名称：

  FISCHER, A.;HENDERSON, G. N., CAN. J. CHEM., 1981, 59, N 15, 2314-2327

  摘要：

  DOI：

文献信息

• Fischer, Alfred; Henderson, George N., Canadian Journal of Chemistry, 1981, vol. 59, p. 2314 - 2327
  作者：Fischer, Alfred、Henderson, George N.

  DOI：——

  日期：——
• �ber die Einwirkung von Bleitetraacetat auf Phenole, 11. Mitt.: Darstellung neuer o- und p-Benzochinolacetate und o-Chinonondiacetate
  作者：F. Takacs

  DOI：10.1007/bf00908808

  日期：——
• Regulatory molecules for the 5-HT3 receptor ion channel gating system
  作者：Satoshi Yoshida、Takashi Watanabe、Yasuo Sato

  DOI：10.1016/j.bmc.2007.02.054

  日期：2007.5

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.
• FISCHER, A.;HENDERSON, G. N., CAN. J. CHEM., 1981, 59, N 15, 2314-2327
  作者：FISCHER, A.、HENDERSON, G. N.

  DOI：——

  日期：——