1-(4-tert-butyl-benzoyl)-3-(naphthalen-1-yl)-thiourea | 356078-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(4-tert-butyl-benzoyl)-3-(naphthalen-1-yl)-thiourea
• 英文别名: 4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide
• CAS: 356078-04-1
• 化学式: C₂₂H₂₂N₂OS
• 分子量: 362.495
• InChiKey: JIARVRSFHWMRRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  O-(四氢-2H-吡喃-2-基)羟基胺 、 1-(4-tert-butyl-benzoyl)-3-(naphthalen-1-yl)-thiourea 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以99%的产率得到(Z)-4-(tert-butyl)-N-(N'-(naphthalen-1-yl)-N-((tetrahydro-2H-pyran-2-yl)oxy)carbamimidoyl)benzamide
  参考文献：
  名称：

  Cyclization of protected N-acylhydroxyguanidine to 3-amino-1,2,4-oxadiazole

  摘要：

  The acid mediated cyclization of a protected N-acylhydroxyguanidine into the corresponding 3-amino1,2,4-oxadiazole and confirmation of its structure by single crystal X-ray crystallography is reported herein. The yield of the cyclization is comparable to literature reports utilizing alternative procedures. Importantly, these new conditions provide complementary chemoselectivity to current synthetic procedures which may be useful for the synthesis of 3-amino-1,2,4-oxadiazoles in general. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.074
• 作为产物：
  描述：

  potassium thioacyanate 、 1-萘胺 、 对叔丁基苯甲酰氯 以 丙酮 为溶剂， 反应 2.0h， 生成 1-(4-tert-butyl-benzoyl)-3-(naphthalen-1-yl)-thiourea
  参考文献：
  名称：

  Cyclization of protected N-acylhydroxyguanidine to 3-amino-1,2,4-oxadiazole

  摘要：

  The acid mediated cyclization of a protected N-acylhydroxyguanidine into the corresponding 3-amino1,2,4-oxadiazole and confirmation of its structure by single crystal X-ray crystallography is reported herein. The yield of the cyclization is comparable to literature reports utilizing alternative procedures. Importantly, these new conditions provide complementary chemoselectivity to current synthetic procedures which may be useful for the synthesis of 3-amino-1,2,4-oxadiazoles in general. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.074

文献信息

• NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：You Ji Chang

  公开号：US20130096138A1

  公开（公告）日：2013-04-18

  Disclosed are novel thiourea or urea derivatives inhibitory of HIV activity. Also provided are a method for preparing the thiourea or urea derivatives, and a pharmaceutical composition for the prophylaxis or therapy of AIDS comprising the derivatives. Having high inhibitory activity against HIV, the thiourea or urea derivatives can be effectively used in the prophylaxis or therapy of AIDS.

  本文披露了一种新颖的硫脲或脲衍生物，具有抑制HIV活性的作用。还提供了一种制备硫脲或脲衍生物的方法，以及一种包含这些衍生物的用于预防或治疗艾滋病的药物组合物。由于硫脲或脲衍生物具有高抑制HIV活性，因此可以有效地用于艾滋病的预防或治疗。