（S）-（-）-2-（α-（叔丁基）甲胺）-1H-苯并咪唑 | 1118114-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: （S）-（-）-2-（α-（叔丁基）甲胺）-1H-苯并咪唑
• 中文别名: (S)-(-)-2-(Α-(叔丁基)甲胺)-1H-苯并咪唑,MIN.95%
• 英文名称: (S)-(-)-2-(-(t-butyl)methanamine)-1H-benzimidazole
• 英文别名: (1S)-1-(1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-amine
• CAS: 1118114-88-7
• 化学式: C₁₂H₁₇N₃
• 分子量: 203.287
• InChiKey: GYFNABLHDUXEKF-SNVBAGLBSA-N

物化性质

• 熔点：
  220-222°C
• 比旋光度：
  -31.1° (c 1.0, CHCl3)
• 沸点：
  378.6±25.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  benzyl (S)-(1-(1H-benzo[d]imidazol-2-yl)-2,2-dimethylpropyl)carbamate 在 水 、 氢溴酸 、 溶剂黄146 作用下， 反应 12.0h， 以36%的产率得到（S）-（-）-2-（α-（叔丁基）甲胺）-1H-苯并咪唑
  参考文献：
  名称：

  Hybrid NH₂-Benzimidazole Ligands for Efficient Ru-Catalyzed Asymmetric Hydrogenation of Aryl Ketones

  摘要：

  Readily available hybrid NH2/benzimidazole ligands (R-bimaH, 1) dramatically influence the outcome of established Ru-based catalysts during asymmetric hydrogenation of aryl ketones. The benzimidazole functionality results in reversal of the typically observed chiral induction and allows for hydrogenation to be uncharacteristically conducted in nonprotic solvents. The developed systems efficiently catalyzed the AH of a number of ketones in up to 99% ee.

  DOI：

  10.1021/ol802766u

文献信息

• NICKEL CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS
  申请人：Dow Corning Corporation

  公开号：EP2758416B1

  公开（公告）日：2018-05-09
• Nickel Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts
  申请人：DOW CORNING CORPORATION

  公开号：US20140183398A1

  公开（公告）日：2014-07-03

  A composition contains (A) a hydrosilylation reaction catalyst and (B) an aliphatically unsaturated compound having an average, per molecule, of one or more aliphatically unsaturated organic groups capable of undergoing hydrosilylation reaction. The composition is capable of reacting via hydrosilylation reaction to form a reaction product, such as a silane, a gum, a gel, a rubber, or a resin. Ingredient (A) contains a metal-ligand complex that can be prepared by a method including reacting a metal precursor and a ligand,
• Iron Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts
  申请人：Dow Corning Corporation

  公开号：US20140249311A1

  公开（公告）日：2014-09-04

  A composition contains (A) a hydrosilylation reaction catalyst and (B) an aliphatically unsaturated compound having an average, per molecule, of one or more aliphatically unsaturated organic groups capable of undergoing hydrosilylation reaction. The composition is capable of reacting via hydrosilylation reaction to form a reaction product, such as a silane, a gum, a gel, a rubber, or a resin. Ingredient (A) contains a metal-ligand complex that can be prepared by a method including reacting a metal precursor and a ligand.
• US20140275329A1
  申请人：——

  公开号：US20140275329A1

  公开（公告）日：2014-09-18
• US9480977B2
  申请人：——

  公开号：US9480977B2

  公开（公告）日：2016-11-01