1,3-Dimethyl-4,5,6,7-tetrahydrobenzimidazol-2-one | 134218-63-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-Dimethyl-4,5,6,7-tetrahydrobenzimidazol-2-one
• CAS: 134218-63-6
• 化学式: C₉H₁₄N₂O
• 分子量: 166.223
• InChiKey: AMLIBMYVIOJBNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-Dimethyl-4,5,6,7-tetrahydrobenzimidazol-2-one 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 为溶剂， 反应 168.0h， 以76%的产率得到(R,S)-N,N’-dimethylcyclohexa-1,2-diylurea
  参考文献：
  名称：

  非对映体纯邻二胺的高效合成：内消旋2,3-双（甲基氨基）丁烷和顺式1,2-双（甲基氨基）环烷烃。

  摘要：

  DOI：

  10.1021/jo961972l
• 作为产物：
  描述：

  己二酸二甲酯 在 异丙苯 、 sodium 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 30.0h， 生成 1,3-Dimethyl-4,5,6,7-tetrahydrobenzimidazol-2-one
  参考文献：
  名称：

  非对映体纯邻二胺的高效合成：内消旋2,3-双（甲基氨基）丁烷和顺式1,2-双（甲基氨基）环烷烃。

  摘要：

  DOI：

  10.1021/jo961972l

文献信息

• Ruthenium complex-catalysed synthesis of 1,3-disubstituted 2,3-dihydroimidazol-2-ones from N,N′-disubstituted ureas and vicinal diols
  作者：Teruyuki Kondo、Shinji Kotachi、Yoshihisa Watanabe

  DOI：10.1039/c39920001318

  日期：——

  Various 1,3-disubstituted 2,3-dihydroimidazol-2-ones are readily prepared by the reaction of N,N′-disubstituted ureas with vicinal-diols in the presence of a catalytic amount of ruthenium complex in fair to good yields.

  多种1,3-二取代的2,3-二氢咪唑-2-酮可通过在适量的钌络合物催化下，N,N'-二取代的脲与邻二醇反应制备，产率较好至良好。
• ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, COMPOSITION FOR CHARGE-TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：IIDA Koichiro

  公开号：US20090284134A1

  公开（公告）日：2009-11-19

  An organic compound having excellent heat resistance, an excellent amorphous nature, an excellent ability to transport charges, highly excited singlet and triplet states, and excellent solubility in an organic solvent is an organic compound represented by Formula (I): wherein Ar 1 represents an optionally-substituted aromatic hydrocarbon group, an optionally-substituted aromatic heterocyclic group, or an optionally-substituted alkyl group; Ar 2 represents an optionally-substituted aromatic hydrocarbon group or an optionally-substituted aromatic heterocyclic group; R 1 and R 2 each represent a hydrogen atom or a substituent, and R 1 and R 2 may be bonded to each other to form a ring; and Q is represented by Formula (I-1) or (I-2): wherein Ar 3 to Ar 5 each represent an optionally-substituted aromatic hydrocarbon group or an optionally-substituted aromatic heterocyclic group, and Ar 3 and Ar 4 may be bonded to each other to form a ring.

  具有优异热稳定性、优异非晶性、优异电荷传输能力、高度激发单重态和三重态状态、以及在有机溶剂中优异溶解性的有机化合物，可以用公式（I）表示，其中Ar1代表可选取代的芳香烃基、可选取代的芳香杂环基或可选取代的烷基；Ar2代表可选取代的芳香烃基或可选取代的芳香杂环基；R1和R2分别代表氢原子或取代基，R1和R2可相互连接形成环；Q由公式（I-1）或（I-2）表示，其中Ar3至Ar5分别代表可选取代的芳香烃基或可选取代的芳香杂环基，Ar3和Ar4可相互连接形成环。
• Synthesis, Reactions, and Rearrangements of 2,4-Diazabicyclo[3.1.0]hexan-3-ones
  作者：Helmut Quast、Josef Walter Stawitz、Bodo Mueller

  DOI：10.3987/com-12-12543

  日期：——

  Copper-mediated cyclopropanation of 1,3-dialkyl-1,3-dihydroimidazol-2-ones with diazomethane and methyl diazoacetate yields 2,4-diazabicyclo[3.1.0]hexan-3-ones and the first diaza[4.3.1]propellane. The bicyclic system survives elevated temperatures and in strongly basic and acidic solutions, but drastic conditions cleave the (C-1) (C-6) bond affording 1,3-dihydroimidazol-2-ones. Catalytic hydrogenation removes N-benzyl groups and opens the (C-1) (C-6) bond. Lithium aluminium hydride reduces 2,4-dibenzyl-2,4-diazabicyclo[3.1.0]hexan-3-one to a bicyclic aminal. Acid-induced cleavage of its imidazolidine ring is followed by unexpected transformations that probably procede via an acyclic intermediate, which comprises an azomethine ylide and an iminium moiety. 1,3-Cyclization involving both functional groups leads to N,N'-dibenzyl-trans-1,2-cyclopropanediamine, while 1,5-cyclization gives rise to the formation of N-benzylpyrrole along with N-benzylamine.
• US8022617B2
  申请人：——

  公开号：US8022617B2

  公开（公告）日：2011-09-20
• Efficient Synthesis of Diastereomerically Pure Vicinal Diamines:  <i>meso</i>-2,3-Bis(methylamino)butane and <i>cis</i>-1,2-Bis(methylamino)cycloalkanes
  作者：Jeff Akester、Jingji Cui、Gideon Fraenkel

  DOI：10.1021/jo961972l

  日期：1997.1.1