| 952572-34-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• CAS: 952572-34-8
• 化学式: C₆H₁₄N₃O₂*Na
• 分子量: 183.186
• InChiKey: IKFCMTMEZSHXGK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.52
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  64.73
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 三氟甲磺酸2-溴-乙酯 在 15-冠醚-5 作用下， 以 四氢呋喃 为溶剂， 以31%的产率得到(Z)-1-(2-bromoethoxy)-3,3-diisopropyltriaz-1-ene 2-oxide
  参考文献：
  名称：

  Improved synthesis of V-PYRRO/NO, a liver-selective nitric oxide prodrug, and analogues

  摘要：

  The reported synthesis of O-2-vinyl 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate(V-PYRRO/NO), a hepatoprotective agent, was cumbersome and limited by a poor overall yield of 4% from sodium 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate (PYRRO/No). We report an improved synthesis of V-PYRRO/NO in two steps with a significantly higher overall yield of 40% from PYRRO/NO. Using this protocol, a number of structural analogues of V-PYRRO/NO were prepared in good yields. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2009.02.103
• 作为产物：
  描述：

  二异丙胺 在 氧化亚氮 、 sodium hydroxide 作用下， 20.0 ℃ 、1.72 MPa 条件下， 反应 120.0h， 以16%的产率得到
  参考文献：
  名称：

  Scalable Synthesis of Diazeniumdiolates: Application to the Preparation of MK-8150

  摘要：

  Synthetic diazeniumdiolate (DAZD)-based nitric oxide is utilized to modulate the nitric oxide (NO) concentration in cellular environments and to control physiological processes, yet chemists are still struggling to find efficient and scalable methodologies that will enable them to access sufficient quantities of the high-energy diazeniumdiolate intermediates for biological studies. Now, a general, scalable, safer, and high-yielding new methodology adaptable to the large-scale synthesis of DAZDs has been developed.

  DOI：

  10.1021/acs.orglett.9b01401