2-((butylamino)methyl)-4,6-dimethylphenol | 56073-36-0

• 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: 2-((butylamino)methyl)-4,6-dimethylphenol
• 英文别名: 2-(Butylaminomethyl)-4,6-dimethylphenol
• CAS: 56073-36-0
• 化学式: C₁₃H₂₁NO
• 分子量: 207.316
• InChiKey: HZBYRDHHIFTMDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-((butylamino)methyl)-4,6-dimethylphenol 、 硫代异氰酸苯酯 以 氯仿 为溶剂， 以52%的产率得到1-butyl-1-(2-hydroxy-3,5-dimethylbenzyl)-3-phenylthiourea
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N-benzyl-N-(X-2-hydroxybenzyl)-N′-phenylureas and thioureas as antitumor agents

  摘要：

  Two series of novel N-benzyl-N-(X-2-hydroxybenzyl)-N'-phenylureas and thioureas (1a-18a; 1b-18b) as potential EGFR and HER-2 kinase inhibitors have been discovered. These compounds displayed good EGFR and HER-2 inhibitory activity and the SARs are also been studied. Especially compound 7b demonstrated significant EGFR and HER-2 inhibitory activity (IC50 = 0.08 mu M for EGFR and IC50 = 0.35 mu M for HER-2). Docking simulation was performed to position compound 7b into the EGFR active site to determine the probable binding conformation and antiproliferative assay results indicating that these series of urea and thioureas own high antiproliferative activity against MCF-7. Above all, thiourea 7b would be a potential anticancer agent deserves further research. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.054
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以71%的产率得到2-((butylamino)methyl)-4,6-dimethylphenol
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N-benzyl-N-(X-2-hydroxybenzyl)-N′-phenylureas and thioureas as antitumor agents

  摘要：

  Two series of novel N-benzyl-N-(X-2-hydroxybenzyl)-N'-phenylureas and thioureas (1a-18a; 1b-18b) as potential EGFR and HER-2 kinase inhibitors have been discovered. These compounds displayed good EGFR and HER-2 inhibitory activity and the SARs are also been studied. Especially compound 7b demonstrated significant EGFR and HER-2 inhibitory activity (IC50 = 0.08 mu M for EGFR and IC50 = 0.35 mu M for HER-2). Docking simulation was performed to position compound 7b into the EGFR active site to determine the probable binding conformation and antiproliferative assay results indicating that these series of urea and thioureas own high antiproliferative activity against MCF-7. Above all, thiourea 7b would be a potential anticancer agent deserves further research. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.054

文献信息

• Synthesis and characterization of a new series of cross-linked (phenol, formaldehyde, alkyldiamine) terpolymers for the removal of toxic metal ions from wastewater
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US10040698B2

  公开（公告）日：2018-08-07

  Cross-linked terpolymers made up of phenol, diaminoalkane and formaldehyde monomeric units. The cross-linked terpolymers are synthesized via a Mannich mechanism in n-heptane, characterized with multiple spectroscopic techniques, scanning electron microscopy and powder X-ray diffraction, and are also investigated for their Pb2+ adsorption capacity and thermodynamic properties. A method of removing Pb2+ ions from an aqueous solution or a wastewater sample with these cross-linked terpolymers is also described.

  由苯酚、二氨基烷和甲醛单体单元组成的交联三元共聚物。交联三元共聚物是在正庚烷中通过曼尼希机制合成的，采用多种光谱技术、扫描电子显微镜和粉末 X 射线衍射技术对其进行了表征，并对其 Pb2+ 吸附能力和热力学性质进行了研究。此外，还介绍了用这些交联三元共聚物从水溶液或废水样品中去除 Pb2+ 离子的方法。
• Dewar,M.K. et al., Australian Journal of Chemistry, 1975, vol. 28, p. 917 - 924
  作者：Dewar,M.K. et al.

  DOI：——

  日期：——
• SYNTHESIS AND CHARACTERIZATION OF A NEW SERIES OF CROSS-LINKED (PHENOL, FORMALDEHYDE, ALKYLDIAMINE) TERPOLYMERS FOR THE REMOVAL OF TOXIC METAL IONS FROM WASTEWATER
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US20160332893A1

  公开（公告）日：2016-11-17

  Cross-linked terpolymers made up of phenol, diaminoalkane and formaldehyde monomeric units. The cross-linked terpolymers are synthesized via a Mannich mechanism in n-heptane, characterized with multiple spectroscopic techniques, scanning electron microscopy and powder X-ray diffraction, and are also investigated for their Pb 2+ adsorption capacity and thermodynamic properties. A method of removing Pb 2+ ions from an aqueous solution or a wastewater sample with these cross-linked terpolymers is also described.