1-tert-butyl-3-m-tolylurea | 196207-36-0

• 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: 1-tert-butyl-3-m-tolylurea
• 英文别名: N-(tert-butyl)-N'-(3-methylphenyl)urea；1-tert-butyl-3-(3-methylphenyl)urea
• CAS: 196207-36-0
• 化学式: C₁₂H₁₈N₂O
• mdl: MFCD00158234
• 分子量: 206.288
• InChiKey: LZRHYXLXIYPGPU-UHFFFAOYSA-N

物化性质

• 沸点：
  289.6±23.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-甲基苯胺 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 2.5h， 生成 1-tert-butyl-3-m-tolylurea
  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

• INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY
  申请人：Claridge Stephen William

  公开号：US20090264440A1

  公开（公告）日：2009-10-22

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，本发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，从而抑制受体信号传导，例如抑制VEGF受体信号和HGF受体信号的传导。更具体地，本发明涉及抑制VEGF受体信号和HGF受体信号的化合物、组合物和方法。本发明还提供了治疗细胞增殖性疾病和状况的组合物和方法。
• Processes and intermediates for preparing fused heterocyclic kinase inhibitors
  申请人：Raeppel Franck

  公开号：US20090286984A1

  公开（公告）日：2009-11-19

  This invention relates to processes and intermediates for manufacturing fused heterocyclic-type kinase inhibitor compounds, such as thienopyridine-based compounds, and to processes and intermediates for preparing intermediates that are useful in the manufacture of fused heterocyclic-type kinase inhibitor compounds, such as thienopyridine-based compounds, particularly at an industrial level.

  本发明涉及用于制造融合杂环型激酶抑制剂化合物的过程和中间体，例如噻吩并吡啶基化合物，并涉及用于制备在制造融合杂环型激酶抑制剂化合物，例如噻吩并吡啶基化合物中有用的中间体的过程和中间体，特别是在工业水平上。
• PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS
  申请人：Raeppel Franck

  公开号：US20120095234A1

  公开（公告）日：2012-04-19

  This invention relates to processes and intermediates for manufacturing fused heterocyclic-type kinase inhibitor compounds, such as thienopyridine-based compounds, and to processes and intermediates for preparing intermediates that are useful in the manufacture of fused heterocyclic-type kinase inhibitor compounds, such as thienopyridine-based compounds, particularly at an industrial level.

  本发明涉及制造融合杂环型激酶抑制剂化合物（例如基于噻吩并吡啶的化合物）的过程和中间体，以及制备有用于制造融合杂环型激酶抑制剂化合物（例如基于噻吩并吡啶的化合物）的中间体的过程和中间体，特别是在工业水平上。
• Cobalt(II)-Catalyzed Isocyanide Insertion Reaction with Amines under Ultrasonic Conditions: A Divergent Synthesis of Ureas, Thioureas and Azaheterocycles
  作者：Tong-Hao Zhu、Xiao-Ping Xu、Jia-Jia Cao、Tian-Qi Wei、Shun-Yi Wang、Shun-Jun Ji

  DOI：10.1002/adsc.201300745

  日期：2014.2.10

  AbstractCobalt(II) acetylacetonate‐catalyzed isocyanide insertion reactions with amines utilizing tert‐butyl hydroperoxide (TBHP) as an oxidant under ultrasound conditions have been developed, which lead to the synthesis of ureas, thioureas, as well as 2‐aminobenzimidazoles, 2‐aminobenzothiazoles, and 2‐aminobenzoxazoles under the general reaction conditions in up to 96% yields, respectively. The intermediate amino methylidyneaminiums, initiated by cobalt(II) acetylacetonate‐catalyzed reactions of isocyanides with amines, could be easily trapped by different nucleophiles such as water, sulfur, and intramolecular nucleophilic functional groups. This method provides a simple, general and practical protocol for the divergent synthesis of ureas, thioureas and azaheterocycles.magnified image
• NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES
  申请人：UNIVERSITÉ LAVAL

  公开号：US20210163404A1

  公开（公告）日：2021-06-03

  Novel urea, thiourea and squaramide compounds and bioisosteres thereof of formulas (I) and (VI) and the use thereof for treating, attenuating, inhibiting or preventing inflammation and inflammation-related pathologies are described herein.