5,6-二甲基-1H-苯2-咪唑甲醛 | 920484-85-1

• 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: 5,6-二甲基-1H-苯2-咪唑甲醛
• 英文名称: 5,6-dimethyl-1H-benzo[d]imidazole-2-carbaldehyde
• 英文别名: 5,6-dimethyl-1H-benzimidazole-2-carbaldehyde
• CAS: 920484-85-1
• 化学式: C₁₀H₁₀N₂O
• mdl: MFCD08060678
• 分子量: 174.202
• InChiKey: KCPBNQLILGREDH-UHFFFAOYSA-N

物化性质

• 沸点：
  386.2±45.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  5,6-二甲基-1H-苯2-咪唑甲醛 、 (3-Brom-1-propenyl)phosphonsaeure-diethylester 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到3-diethoxyphosphoryl-7,8-dimethylpyrido[1,2-a]benzimidazole
  参考文献：
  名称：

  Synthesis of Nitrogen Bridgehead Heterocycles with Phosphonates via a Novel Tandem Process

  摘要：

  A novel and efficient method was developed for the synthesis of nitrogen bridgehead heterocycles with phosphonates. Nitrogen containing five-membered heterocyclic aldehyde and diethyl 3-bromoprop-1-enylphosphonate were used as substrates. Bridgehead nitrogen-containing arylphosphonates were obtained via one-pot reaction including four steps: S(N)2, deprotonation followed by electron flow, nucleophic additon and elimination of water.

  DOI：

  10.3987/com-12-12661

文献信息

• MODULATORS OF THE INTEGRATED STRESS PATHWAY
  申请人：Calico Life Sciences LLC

  公开号：US20200361941A1

  公开（公告）日：2020-11-19

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases; disorders and conditions.
• Synthesis of Nitrogen Bridgehead Heterocycles with Phosphonates via a Novel Tandem Process
  作者：Jian-Wu Wang、Jiong Jia、Ya-Fei Xie、Lei Feng、Hua-Qiang Xu、Song Meng、Gui-Long Zhao、Wei-Ren Xu、Yan-Qing Ge

  DOI：10.3987/com-12-12661

  日期：——

  A novel and efficient method was developed for the synthesis of nitrogen bridgehead heterocycles with phosphonates. Nitrogen containing five-membered heterocyclic aldehyde and diethyl 3-bromoprop-1-enylphosphonate were used as substrates. Bridgehead nitrogen-containing arylphosphonates were obtained via one-pot reaction including four steps: S(N)2, deprotonation followed by electron flow, nucleophic additon and elimination of water.