| 1028862-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1028862-11-4
• 化学式: C₁₀H₁₁NSe
• 分子量: 224.164
• InChiKey: KYQKLQLIVUCWCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 2-(2-bromoethyl)piperidine hydrobromide 在 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以72%的产率得到(4-isopropylphenyl)(3-selena-1-azabicyclo[4.4.0]decan-2ylidene)amine
  参考文献：
  名称：

  1-氮杂双环[4.4.0]癸烷硒类似物的合成

  摘要：

  开发了一种合成 1-氮杂双环 [4.4.0] 癸烷系列硒双环结构的方法，包括芳基异硒氰酸酯与 2-(2-溴乙基)哌啶的缩合和随后形成的硒脲的分子内环化。

  DOI：

  10.1007/s11172-016-1302-6
• 作为产物：
  描述：

  N-(4-异丙基苯基)甲酰胺 在 光气 、 selenium 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Novel bicyclic derivatives of 1,3-selenazine

  摘要：

  双环异硒脲（1-硒-3-氮杂螺[5.5]十一-2-烯-2-胺和3-硒-1-氮杂螺[3.3.1]壬-2-亚氨胺）是通过硒脲的分子内环化反应，形成1,3-硒嗪环，并进行抗氧化活性测试得到的结果。

  DOI：

  10.1007/s11172-013-0021-5

文献信息

• Synthesis and Pesticidal Properties of Thio and Seleno Analogs of Some Common Urea Herbicides
  作者：Jerzy Zakrzewski、Maria Krawczyk

  DOI：10.1080/10426500802391692

  日期：2009.7.13

  Thio and seleno analogs of fenuron, isoproturon, chlorotoluron, metoxuron, monuron, and diuron were synthesized from the corresponding aryl amines. Their reaction with thiophosgene leads to isothiocyanates. Aryl amines were also converted (via isocyanides) to isoselenocyanates. The reaction of both isothio- and isoselenocyanates with dimethylamine affords the corresponding thio and seleno analogs of

  fenuron、isoproturon、chlorotoluron、metoxuron、monuron 和 diuron 的硫和硒类似物由相应的芳胺合成。它们与硫光气反应生成异硫氰酸酯。芳胺也被转化（通过异氰化物）为异硒氰酸酯。异硫氰酸酯和异硒氰酸酯与二甲胺的反应得到上述尿素除草剂的相应硫代和硒代类似物。合成化合物的除草活性略低于母体尿素除草剂的活性。硫代和硒代类似物以及母体尿素在 200 ppm 的浓度下对选定的真菌显示出良好的杀真菌活性。
• Synthesis of tetrasubstituted isoselenoureas
  作者：A. N. Proshin、I. V. Serkov、S. O. Bachurin

  DOI：10.1134/s0012500810010039

  日期：2010.1
• Solubility and Solution Thermodynamics of Novel Bicyclic Derivatives of 1,3-Selenazine in Biological Relevant Solvents
  作者：Svetlana V. Blokhina、Tatyana V. Volkova、Marina V. Ol’khovich、Angelika V. Sharapova、Alexey N. Proshin、German L. Perlovich

  DOI：10.1021/je500363r

  日期：2014.7.10

  Drug-like N-substituted 1-selena-3-azaspiro[5,5]undec-2-en-2-amine hydrobromides (1:1) have been synthesized. Phenyl, isopropylphenyl, and fluorophenyl substituents were used. The solubility of the obtained compounds in pharmaceutically relevant solvents within the temperature range from (298.15 to 318.15) K has been measured using the isothermal saturation technique. All of the compounds studied appear to have poor solubility of similar to 10(-6) mole fraction in phosphate buffer pH 7.4 and hexane. The solubility values enlarge substantially to similar to 10(-2) and 10(-4) mole fraction, respectively, in octanol and muriatic buffer solution pH 2.0. The solubility of the selenazines in aqueous media was shown to increase as the number of protonated forms grew. The high solubility of the compounds in octanol was found to depend on the formation of intermolecular solvent solute hydrogen bonds. Thermodynamic solubility functions for the substances in the solvents studied have been calculated. The solubility in all of the systems with the predominant enthalpy term of Gibbs energy was proved to increase as the dissolution enthalpy decreased.
• New spiro derivatives of isoselenourea in 1,3-selenazine series
  作者：A. N. Proshin、I. V. Serkov、A. V. Chernyak、S. O. Bachurin

  DOI：10.1134/s0012500813080028

  日期：2013.8