tert-butyl N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate | 643744-95-0

• 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: tert-butyl N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
• CAS: 643744-95-0
• 化学式: C₁₄H₁₇N₃O₃
• 分子量: 275.307
• InChiKey: WDZQHQBNAFVQKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate 在 三氟乙酸 作用下， 以95%的产率得到4-(5-甲基-1,2,4-噁二唑)苯胺
  参考文献：
  名称：

  Environmentally friendly and efficient: iron-mediated reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to benzamidines

  摘要：

  A new synthetic method is described for the mild and selective reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to amidines employing iron powder in aqueous medium. Its application is demonstrated in the synthesis of 1, a potent and selective urokinase-type plasminogen activator (uPA) inhibitor. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2003.09.139
• 作为产物：
  描述：

  4-氰基苯基氨基甲酸叔丁酯 在 四丁基氟化铵 、 羟胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 1.5h， 生成 tert-butyl N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
  参考文献：
  名称：

  Environmentally friendly and efficient: iron-mediated reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to benzamidines

  摘要：

  A new synthetic method is described for the mild and selective reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to amidines employing iron powder in aqueous medium. Its application is demonstrated in the synthesis of 1, a potent and selective urokinase-type plasminogen activator (uPA) inhibitor. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2003.09.139

文献信息

• Environmentally friendly and efficient: iron-mediated reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to benzamidines
  作者：Martin Sendzik、Hon C Hui

  DOI：10.1016/j.tetlet.2003.09.139

  日期：2003.11

  A new synthetic method is described for the mild and selective reduction of 3-methyl-5-aryl-1,2,4-oxadiazoles to amidines employing iron powder in aqueous medium. Its application is demonstrated in the synthesis of 1, a potent and selective urokinase-type plasminogen activator (uPA) inhibitor. (C) 2003 Published by Elsevier Ltd.