α'-nitro-α-oxo-bibenzyl-2-carboxylic acid methyl ester | 6688-35-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: α'-nitro-α-oxo-bibenzyl-2-carboxylic acid methyl ester
• 英文别名: α'-Nitro-α-oxo-bibenzyl-2-carbonsaeure-methylester；α-Nitro-α-phenyl-acetophenon-carbonsaeure-(2)-methylester；Methyl 2-(2-nitro-2-phenylacetyl)benzoate
• CAS: 6688-35-3
• 化学式: C₁₆H₁₃NO₅
• 分子量: 299.283
• InChiKey: QRNXWMIKYCRKRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  α'-nitro-α-oxo-bibenzyl-2-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 生成 α'-nitro-α-oxo-bibenzyl-2-carboxylic acid
  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
• 作为产物：
  描述：

  甲醇 、 2-nitro-2-phenyl-indan-1,3-dione 在 sodium methylate 作用下， 生成 α'-nitro-α-oxo-bibenzyl-2-carboxylic acid methyl ester
  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, Latvijas PSR Zinatnu Akademijas Vestis, 1952, # 11, p. 129,132
  作者：Salukaew

  DOI：——

  日期：——
• 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.