α,α'-bis-(N'-methylthioureylene)-m-xylene | 16578-51-1

• 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: α,α'-bis-(N'-methylthioureylene)-m-xylene
• 英文别名: 1-Methyl-3-[[3-[(methylcarbamothioylamino)methyl]phenyl]methyl]thiourea
• CAS: 16578-51-1
• 化学式: C₁₂H₁₈N₄S₂
• 分子量: 282.434
• InChiKey: UJEGCUJDAGCQGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α,α'-bis-(N'-methylthioureylene)-m-xylene 、 2-溴甲基萘 以 乙醇 为溶剂， 反应 2.0h， 以15%的产率得到BT-C₁ bromide
  参考文献：
  名称：

  Thiourea–isothiouronium conjugate for strong and selective binding of very hydrophilic H2PO4− anion at the 1,2-dichloroethane–water interface

  摘要：

  Potential use of a surfactant-like receptor is demonstrated at the 1,2-dichloroethane-water interface for strong and selective binding of H2PO4- over Br- and Cl-. The analysis by interfacial tensiometry reveals that the interfacial adsorption of a thiourea-isothiouronium conjugate, BT-C-1, is significantly stabilized by the binding of H2PO4- with the adsorption constant of 1.7 x 10(5) M-1 while the interfacial adsorptivity of this receptor is relatively moderate for Br- (0.81 x 10(5) M-1) and Cl- (0.63 x 10(5) M-1). Such complexation-induced interfacial adsorption behaviors of BT-C-1 are discussed as a basis for the development of receptor-based chemical sensors for phosphate anions. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.001
• 作为产物：
  描述：

  间苯二甲胺 、 异硫氰酸甲酯 生成 α,α'-bis-(N'-methylthioureylene)-m-xylene
  参考文献：
  名称：

  2,6-吡啶二甲醇双（N-甲基氨基甲酸酯）的类似物。

  摘要：

  DOI：

  10.1021/jm00315a047

文献信息

• Analogs of 2,6-Pyridinedimethanol Bis(N-methylcarbamate)
  作者：P. F. Juby、R. B. Babel、G. E. Bocian、N. M. Cladel、J. C. Godfrey、B. A. Hall、T. W. Hudyma、G. M. Luke、J. D. Matiskella、W. F. Minor、T. A. Montzka、R. A. Partyka、R. T. Standridge、L. C. Cheney

  DOI：10.1021/jm00315a047

  日期：1967.5
• Thiourea–isothiouronium conjugate for strong and selective binding of very hydrophilic H2PO4− anion at the 1,2-dichloroethane–water interface
  作者：Ryo Kato、Ying-Yu Cui、Seiichi Nishizawa、Tomoyuki Yokobori、Norio Teramae

  DOI：10.1016/j.tetlet.2004.04.001

  日期：2004.5

  Potential use of a surfactant-like receptor is demonstrated at the 1,2-dichloroethane-water interface for strong and selective binding of H2PO4- over Br- and Cl-. The analysis by interfacial tensiometry reveals that the interfacial adsorption of a thiourea-isothiouronium conjugate, BT-C-1, is significantly stabilized by the binding of H2PO4- with the adsorption constant of 1.7 x 10(5) M-1 while the interfacial adsorptivity of this receptor is relatively moderate for Br- (0.81 x 10(5) M-1) and Cl- (0.63 x 10(5) M-1). Such complexation-induced interfacial adsorption behaviors of BT-C-1 are discussed as a basis for the development of receptor-based chemical sensors for phosphate anions. (C) 2004 Elsevier Ltd. All rights reserved.