2-carbomethoxy-ω-nitroacetophenone | 54519-55-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-carbomethoxy-ω-nitroacetophenone
• 英文别名: 2-nitroacetyl-benzoic acid methyl ester；2-Nitroacetyl-benzoesaeure-methylester；2-methoxycarbonyl-ω-nitroacetophenone；2-Methoxycarbonyl-ω-nitroacetophenon；Methyl 2-(2-nitroacetyl)benzoate
• CAS: 54519-55-0
• 化学式: C₁₀H₉NO₅
• mdl: MFCD00452518
• 分子量: 223.185
• InChiKey: BTDCXIKSCKFXTG-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C(Solv: ethanol (64-17-5))
• 沸点：
  389.0±27.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-carbomethoxy-ω-nitroacetophenone 以 水 、 苯 为溶剂， 生成 2-硝基-1,3-茚二酮
  参考文献：
  名称：

  Substituted .omega.-nitroacetophenones

  摘要：

  描述了替代的ω-硝基苯乙酮及其制备方法和中间体，以及含有这种硝基苯乙酮的药物组合物，用于预防和治疗与过敏或免疫反应相关的疾病，如哮喘、花粉症和鼻炎。

  公开号：

  US03983156A1
• 作为产物：
  描述：

  甲醇 、 2-硝基-1,3-茚二酮 生成 2-carbomethoxy-ω-nitroacetophenone
  参考文献：
  名称：

  Antiallergic activity of .omega.-nitroacetophenones

  摘要：

  Selected omega-nitroacetophenones, formed by the alcoholic cleavage of 2-nitroindandiones, have been shown to inhibit the homocytotropic antibody-antigen induced passive cutaneous analhylaxis reaction in the rat. The enzymatic cyclization of these derivatives to the parent nitroindandione has been demonstrated both in vivo and in vitro and this process is suggested as a possible prerequisite to biological activity.

  DOI：

  10.1021/jm00241a018

文献信息

• Salukaew, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 914,919
  作者：Salukaew

  DOI：——

  日期：——
• Synthesis of 2-amino-5-nitro-4H-pyran-3-carbonitriles
  作者：V. N. Marshalkin、A. V. Samet、V. V. Semenov

  DOI：10.1007/bf02317810

  日期：1998.12
• Antiallergic activity of .omega.-nitroacetophenones
  作者：Derek R. Buckle、Barrie C. C. Cantello、Neil J. Morgan、Harry Smith、Barbara A. Spicer

  DOI：10.1021/jm00241a018

  日期：1975.7

  Selected omega-nitroacetophenones, formed by the alcoholic cleavage of 2-nitroindandiones, have been shown to inhibit the homocytotropic antibody-antigen induced passive cutaneous analhylaxis reaction in the rat. The enzymatic cyclization of these derivatives to the parent nitroindandione has been demonstrated both in vivo and in vitro and this process is suggested as a possible prerequisite to biological activity.
• Substituted .omega.-nitroacetophenones
  申请人：Beecham Group Limited

  公开号：US03983156A1

  公开（公告）日：1976-09-28

  Substituted .omega.-nitroacetophenones and their preparation and intermediates therefor are described together with pharmaceutical compositions containing such nitroacetophenones for the prophylaxis and treatment of diseases associated with allergic or immunological reactions such as asthma, hayfever and rhinitis.

  描述了替代的ω-硝基苯乙酮及其制备方法和中间体，以及含有这种硝基苯乙酮的药物组合物，用于预防和治疗与过敏或免疫反应相关的疾病，如哮喘、花粉症和鼻炎。