1-(1-Adamantyl)-3-(2,2-diethoxyethyl)thiourea | 51334-09-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: 1-(1-Adamantyl)-3-(2,2-diethoxyethyl)thiourea
• CAS: 51334-09-9
• 化学式: C₁₇H₃₀N₂O₂S
• 分子量: 326.503
• InChiKey: YYINKLRHDGAFEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-Adamantyl)-3-(2,2-diethoxyethyl)thiourea 在 锂硼氢 、 硫酸 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 水 为溶剂， 反应 109.0h， 生成
  参考文献：
  名称：

  Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S₃] Donor Ligand

  摘要：

  The tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand, [Tm-Ad], has been synthesized via the reaction of 1-adamantyl-2-mercaptoimidazole with MBH4 (M = Li, K). [Tm-Ad]M has been used to synthesize a variety of compounds of the main-group and transition elements, including [TmA(d)]ZnI, {[Tm-Ad]GaI}[GaI4], {[Tm-Ad]GaCl} [GaCl4], {[Tm-Ad]GaGa[Tm-Ad]}[GaCl4](2), {[Tm-Ad](2)In} [InI4], [Tm-Ad]In-(kappa(2)-mim(Ad))Cl, [Tm-Ad]Ga -> B(C6F5)(3), [Tm-Ad]In -> B(C6F5)(3), and [Tm-Ad]Re(CO)(3). Structural characterization of [Tm-Ad]Re(CO)(3) demonstrates that the [Tm-Ad] ligand is more encapsulating than other [Tm-R] ligands, including [Tm-But], while IR spectroscopic studies indicate that the [Tm-Ad] and [Tm-But] ligands have very similar electron-donating properties.

  DOI：

  10.1021/ic201504d
• 作为产物：
  描述：

  异硫氰酸1-金刚烷酯 、 氨基乙醛缩二乙醇 以 乙醇 为溶剂， 反应 20.0h， 生成 1-(1-Adamantyl)-3-(2,2-diethoxyethyl)thiourea
  参考文献：
  名称：

  Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S₃] Donor Ligand

  摘要：

  The tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand, [Tm-Ad], has been synthesized via the reaction of 1-adamantyl-2-mercaptoimidazole with MBH4 (M = Li, K). [Tm-Ad]M has been used to synthesize a variety of compounds of the main-group and transition elements, including [TmA(d)]ZnI, {[Tm-Ad]GaI}[GaI4], {[Tm-Ad]GaCl} [GaCl4], {[Tm-Ad]GaGa[Tm-Ad]}[GaCl4](2), {[Tm-Ad](2)In} [InI4], [Tm-Ad]In-(kappa(2)-mim(Ad))Cl, [Tm-Ad]Ga -> B(C6F5)(3), [Tm-Ad]In -> B(C6F5)(3), and [Tm-Ad]Re(CO)(3). Structural characterization of [Tm-Ad]Re(CO)(3) demonstrates that the [Tm-Ad] ligand is more encapsulating than other [Tm-R] ligands, including [Tm-But], while IR spectroscopic studies indicate that the [Tm-Ad] and [Tm-But] ligands have very similar electron-donating properties.

  DOI：

  10.1021/ic201504d

文献信息

• Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [<i>S</i>₃] Donor Ligand
  作者：Kevin Yurkerwich、Michael Yurkerwich、Gerard Parkin

  DOI：10.1021/ic201504d

  日期：2011.12.19

  The tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand, [Tm-Ad], has been synthesized via the reaction of 1-adamantyl-2-mercaptoimidazole with MBH4 (M = Li, K). [Tm-Ad]M has been used to synthesize a variety of compounds of the main-group and transition elements, including [TmA(d)]ZnI, [Tm-Ad]GaI}[GaI4], [Tm-Ad]GaCl} [GaCl4], [Tm-Ad]GaGa[Tm-Ad]}[GaCl4](2), [Tm-Ad](2)In} [InI4], [Tm-Ad]In-(kappa(2)-mim(Ad))Cl, [Tm-Ad]Ga -> B(C6F5)(3), [Tm-Ad]In -> B(C6F5)(3), and [Tm-Ad]Re(CO)(3). Structural characterization of [Tm-Ad]Re(CO)(3) demonstrates that the [Tm-Ad] ligand is more encapsulating than other [Tm-R] ligands, including [Tm-But], while IR spectroscopic studies indicate that the [Tm-Ad] and [Tm-But] ligands have very similar electron-donating properties.