5-methyl-2-aminobenzophenone oxime

• 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: 5-methyl-2-aminobenzophenone oxime
• 英文别名: (2-amino-5-methyl)benzophenone oxime；syn-5-methyl-2-aminobenzophenone oxime；(NZ)-N-[(2-amino-5-methylphenyl)-phenylmethylidene]hydroxylamine
• 化学式: C₁₄H₁₄N₂O
• 分子量: 226.278
• InChiKey: XPMKWRZFZLYMHZ-PEZBUJJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  4-氯丁酰氯 、 5-methyl-2-aminobenzophenone oxime 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 以69%的产率得到syn-5-methyl-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

文献信息

• Synthesis, crystal and molecular structure of 2-(3-chloropropyl)-6-methyl-4-phenylquinazoline 3-oxide
  作者：O. V. Kulikov、A. V. Mazepa

  DOI：10.1007/s10593-007-0139-1

  日期：2007.7
• ——
  作者：S. A. Andronati、V. I. Pavlovskii、O. V. Kulikov、Yu. A. Simonov、M. Gdanets

  DOI：10.1023/a:1017902424210

  日期：——
• 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.