2,2-Dibromo-1-(3-phenyl-4,5-dihydro-isoxazol-5-yl)-ethanone

• 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: 2,2-Dibromo-1-(3-phenyl-4,5-dihydro-isoxazol-5-yl)-ethanone
• 英文别名: 2,2-dibromo-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
• 化学式: C₁₁H₉Br₂NO₂
• 分子量: 347.006
• InChiKey: UMYGTUXWHZEMMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-acetyl-4,5-dihydro-3-phenylisoxazole 在 溴 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 2,2-Dibromo-1-(3-phenyl-4,5-dihydro-isoxazol-5-yl)-ethanone
  参考文献：
  名称：

  In search of new chemical entities with spermicidal and anti-HIV activities

  摘要：

  Several compounds belonging to 2-isoxazolines (4,5a-c), isoxazoles (3,6a-c) and 1-amino-1-cycloalkyl-2-substituted phenyl ethanes (16-18,a-e) have been synthesised and found to possess spermicidal activity. Out of these a couple of compounds (5a and 6a) exhibit anti-HIV activity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00188-1

文献信息

• In search of new chemical entities with spermicidal and anti-HIV activities
  作者：Seema Srivastava、Lakshmi Kant Bajpai、Sanjay Batra、Amiya P. Bhaduri、J.P. Maikhuri、Gopal Gupta、J.D. Dhar

  DOI：10.1016/s0968-0896(99)00188-1

  日期：1999.11

  Several compounds belonging to 2-isoxazolines (4,5a-c), isoxazoles (3,6a-c) and 1-amino-1-cycloalkyl-2-substituted phenyl ethanes (16-18,a-e) have been synthesised and found to possess spermicidal activity. Out of these a couple of compounds (5a and 6a) exhibit anti-HIV activity. (C) 1999 Elsevier Science Ltd. All rights reserved.