cis-4-Cyclohexen-1,2-diyl-diisocyanat | 57266-64-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cis-4-Cyclohexen-1,2-diyl-diisocyanat
• 英文别名: (4R,5S)-4,5-diisocyanatocyclohexene
• CAS: 57266-64-5
• 化学式: C₈H₈N₂O₂
• 分子量: 164.164
• InChiKey: QSNHRMQOFWHOSC-OCAPTIKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.86
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  cis-4-Cyclohexen-1,2-diyl-diisocyanat 在 盐酸 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 以2.40 g的产率得到cis-4,5-diaminocyclohexene dihydrochloride
  参考文献：
  名称：

  Synthesis of N-heterocyclic compounds via ene–yne metathesis reactions

  摘要：

  Propargylamino and allylamino derivatives of cyclohexene and norbornene were subjected to tandem metathesis reactions with first and second generation Grubbs' catalysts 1 and 2. Results show that the method is compatible with suitably protected nitrogen-containing compounds. Cyclohexenes gave intriguing results in terms of the possibility to perform ring rearrangement metathesis (RRM) reactions, showing a difference with the analogous allyl and propargyl ether substrates. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.10.076
• 作为产物：
  描述：

  cis-1,2,3,6-tetrahydrophthalic anhydride 在 叠氮基三甲基硅烷 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 8.5h， 生成 cis-4-Cyclohexen-1,2-diyl-diisocyanat
  参考文献：
  名称：

  Noncovalent Secondary Interactions in Co(II)Salen Complexes:  O₂ Binding and Catalytic Activity in Cyclohexene Oxygenation

  摘要：

  The O-2 affinity of Co(II)Salen complexes 1-4 and their reactivity in cyclohexene oxygenation reactions of Co(II)Salen complexes 1-4 are modulated by noncovalent interactions such as hydrogen bonding and steric hindrance using a functionalized diamino bridge. Higher O-2 affinity is observed in the case of efficient hydrogen-bonding interactions (complex 1), while increased steric hindrance (cis vs trans diamino bridge) around the Co-coordinated O-2 is influencing the reactivity of the complexes.

  DOI：

  10.1021/jo026118a