1-tert-butyl-3-(3-nitrophenyl)urea | 905045-90-1

• 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: 1-tert-butyl-3-(3-nitrophenyl)urea
• 英文别名: 1-Tert-butyl-3-(3-nitrophenyl)urea
• CAS: 905045-90-1
• 化学式: C₁₁H₁₅N₃O₃
• mdl: MFCD06174069
• 分子量: 237.258
• InChiKey: ICGUHVPGWNAFFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  87
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间硝基苯胺 在 三氟化硼乙醚 作用下， 以 四氢呋喃 、 乙醚 、 溶剂黄146 为溶剂， 反应 6.0h， 生成 1-tert-butyl-3-(3-nitrophenyl)urea
  参考文献：
  名称：

  An efficient transformation of ethers to N,N′-disubstituted ureas in a Ritter type reaction

  摘要：

  A simple, mild, and an alternative protocol for the preparation of N,N'-disubstituted ureas from readily available ethers and cyanamides as starting materials is described. The protocol explores the reactivity of ether in a Ritter type reaction with cyanamide in the presence of BF3 center dot Et2O and resulting in the formation of N,N'-disubstituted urea. Divinyl ether as well as MTBE (methyl tert-butyl ether) can be employed as ether components to afford allyl and tert-butyl ureas respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.027

文献信息

• An efficient transformation of ethers to N,N′-disubstituted ureas in a Ritter type reaction
  作者：Veladi Panduranga、Basavaprabhu、Vommina V. Sureshbabu

  DOI：10.1016/j.tetlet.2012.12.027

  日期：2013.2

  A simple, mild, and an alternative protocol for the preparation of N,N'-disubstituted ureas from readily available ethers and cyanamides as starting materials is described. The protocol explores the reactivity of ether in a Ritter type reaction with cyanamide in the presence of BF3 center dot Et2O and resulting in the formation of N,N'-disubstituted urea. Divinyl ether as well as MTBE (methyl tert-butyl ether) can be employed as ether components to afford allyl and tert-butyl ureas respectively. (C) 2012 Elsevier Ltd. All rights reserved.