2-Amino-5-chlor-benzophenon-syn-oxim | 5013-10-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Amino-5-chlor-benzophenon-syn-oxim
• 英文别名: (2-Amino-5-chlorophenyl)phenylmethanone oxime；(NZ)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine
• CAS: 5013-10-5
• 化学式: C₁₃H₁₁ClN₂O
• 分子量: 246.696
• InChiKey: GCAVNCINXJNLED-SSZFMOIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Amino-5-chlor-benzophenon-syn-oxim 、 4-氯丁酰氯 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 以64%的产率得到syn-5-chloro-2-(4-chlorobutyryl)aminobenzophenone oxime
  参考文献：
  名称：

  Investigation of the reaction between sodium hydroxide and syn-and anti-isomers of 5-substituted 2-(4-chlorobutyryl)-aminobenzophenones oximes

  摘要：

  By the reaction of syn-isomers of 5-substituted 2-(4-chlorobutyryl)aminobenzophenones oximes with NaOH syn-isomers of 5-substituted 2-(2-oxopyrrolidin-1-yl)benzophenones oximes were obtained. Similarly the anti-isomers of 5-substituted 2-(4-chlorobutyryl) aminobenzophenones oximes treated with NaOH underwent cyclization into anti-isomers of 5-substituted 2-(2-oxopyrrolidin-1-yl)benzophenones oximes. Crystal and molecular structures were investigated of the syn-isomer of 5-methyl-2-(2-oxopyrrolidin-1-yl)benzophenone oxime, the anti-isomer of 5-bromo-2-(2-oxopyrrolidin-1-yl)benzophenone oxime, and the syn-isomer of 5-methyl-2-(4-chlorobutyryl)aminobenzo-phenone oxime. The fragmentation features under the electron impact of syn- and anti-isomers of 5-substituted 2-(2-oxopyrrolidin-1-yl)benzophenones oximes are discussed.

  DOI：

  10.1134/s1070428008070075
• 作为产物：
  描述：

  2-氨基-5-氯二苯甲酮 在 吡啶 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 生成 (2-氨基-5-氯苯基)(苯基)甲酮肟 、 2-Amino-5-chlor-benzophenon-syn-oxim
  参考文献：
  名称：

  一种实用，无金属的1H-吲唑合成方法。

  摘要：

  1H-吲唑的合成是通过在氨基存在下肟的选择性活化，由邻氨基苯并肟实现的。该反应在0-23℃下使用稍微过量的甲磺酰氯和三乙胺与多种取代的邻氨基苯甲酰肟发生，并且可以放大。与以前的合成方法相比，在这些条件下1H-吲唑的合成非常温和，并以良好的产率提供了所需的化合物。

  DOI：

  10.1021/ol800053f

文献信息

• ANZINI MAURIRIO, GAROTALO ANTONIO, VOMERO SALVATORE, HETEROCYCLES., 1989, 29, N8, 1477-1487
  作者：ANZINI MAURIRIO, GAROTALO ANTONIO, VOMERO SALVATORE

  DOI：——

  日期：——
• A Practical, Metal-Free Synthesis of 1<i>H</i>-Indazoles
  作者：Carla M. Counceller、Chad C. Eichman、Brenda C. Wray、James P. Stambuli

  DOI：10.1021/ol800053f

  日期：2008.3.1

  The synthesis of 1H-indazoles is achieved from o-aminobenzoximes by the selective activation of the oxime in the presence of the amino group. The reaction occurs with a variety of substituted o-aminobenzoximes using a slight excess of methanesulfonyl chloride and triethylamine at 0-23 degrees C and is amenable to scale-up. The synthesis of 1H-indazoles under these conditions is extremely mild compared

  1H-吲唑的合成是通过在氨基存在下肟的选择性活化，由邻氨基苯并肟实现的。该反应在0-23℃下使用稍微过量的甲磺酰氯和三乙胺与多种取代的邻氨基苯甲酰肟发生，并且可以放大。与以前的合成方法相比，在这些条件下1H-吲唑的合成非常温和，并以良好的产率提供了所需的化合物。
• Investigation of the reaction between sodium hydroxide and syn-and anti-isomers of 5-substituted 2-(4-chlorobutyryl)-aminobenzophenones oximes
  作者：O. V. Kulikov、L. Kh. Minacheva、A. V. Mazepa

  DOI：10.1134/s1070428008070075

  日期：2008.7

  By the reaction of syn-isomers of 5-substituted 2-(4-chlorobutyryl)aminobenzophenones oximes with NaOH syn-isomers of 5-substituted 2-(2-oxopyrrolidin-1-yl)benzophenones oximes were obtained. Similarly the anti-isomers of 5-substituted 2-(4-chlorobutyryl) aminobenzophenones oximes treated with NaOH underwent cyclization into anti-isomers of 5-substituted 2-(2-oxopyrrolidin-1-yl)benzophenones oximes. Crystal and molecular structures were investigated of the syn-isomer of 5-methyl-2-(2-oxopyrrolidin-1-yl)benzophenone oxime, the anti-isomer of 5-bromo-2-(2-oxopyrrolidin-1-yl)benzophenone oxime, and the syn-isomer of 5-methyl-2-(4-chlorobutyryl)aminobenzo-phenone oxime. The fragmentation features under the electron impact of syn- and anti-isomers of 5-substituted 2-(2-oxopyrrolidin-1-yl)benzophenones oximes are discussed.