Isoquinolinium, 1-cyano-2-ethoxy-2-oxoethylide | 37026-11-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Isoquinolinium, 1-cyano-2-ethoxy-2-oxoethylide
• 英文别名: 1-cyano-2-ethoxy-1-(isoquinolin-2-yl)-2-oxoethan-1-ylid；isoquinolinium cyano(ethoxycarbonyl) methylide；isoquinolinium cyano(ethoxycarbonyl)methanide；isoquinolinium cyano(ethoxycarbonyl)methylide；isoquinolinium cyanomethoxymethylide；Cyano-carbethoxi-isochinolinium-methylid
• CAS: 37026-11-2
• 化学式: C₁₄H₁₂N₂O₂
• 分子量: 240.261
• InChiKey: HDCNMXPXSJRTEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Isoquinolinium, 1-cyano-2-ethoxy-2-oxoethylide 在 硫化氢 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 2-(2,4-Dinitrophenylthio)-3-carbethoxyimidazo<1,2-a>isoquinoline
  参考文献：
  名称：

  Synthesis and properties of thiocarbamoylmethylpyridinium (isoquinolinium) ylids

  摘要：

  DOI：

  10.1007/bf00473865
• 作为产物：
  描述：

  sodium ethanolate 、 2-isoquinolinio-acetoxycarbonylcyanomethylide 以 乙醇 为溶剂， 反应 0.08h， 以66.7%的产率得到Isoquinolinium, 1-cyano-2-ethoxy-2-oxoethylide
  参考文献：
  名称：

  Funakoshi, Kazuhisa; Inada, Haruaki; Hamana, Masatomo, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 12, p. 4731 - 4739

  摘要：

  DOI：

文献信息

• Reaction of N-(p-tolylsulfonyl)diphenylcyclopropenimine with pyridinium and isoquinolinium ylides
  作者：Ronaldo Aloise Pilli、J. Augusto R. Rodrigues、Albert Kascheres

  DOI：10.1021/jo00155a031

  日期：1983.4
• Sato, Masayuki; Kanuma, Norio; Kato, Tetsuzo, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 12, p. 4359 - 4364
  作者：Sato, Masayuki、Kanuma, Norio、Kato, Tetsuzo

  DOI：——

  日期：——
• Electron ionization and chemical ionization mass spectra of pyridinium and isoquinolinium ylides
  作者：D. V. Bowen、P. W. Skett、J. Thorpe、A. O. Plunkett

  DOI：10.1002/oms.1210190605

  日期：1984.6

  AbstractElectron ionization (EI) spectra and both positive and negative chemical ionization (CI) spectra have been obtained for four isoquinolinium ylides and two pyridinium ylides. Electron transfer reactions dominate the CI mass specra. The base peak in negative chemical ionization is the [M]−· ion, formed by electron capture. In the positive methane CI spectra the molecular ion, [M]+·, is relatively more intense than [MH]+ showing electron transfer to be the main positive ionization process. In the positive ammonia CI spectra, proton transfer to give [MH]+ is the main ionization process, but electron transfer is also observed. The EI spectra show fragmentations in which the aromatic nitrogen moiety retains the charge and fragmentation is by loss of radicals or small neutral molecules from the side‐chains. Radical driven reactions are proposed to explain these spectra.
• Nekrasov, D. D.; Andreichikov, Yu. S.; Bakulev, V. A., Russian Journal of Organic Chemistry, 1993, vol. 29, # 3.2, p. 545 - 546
  作者：Nekrasov, D. D.、Andreichikov, Yu. S.、Bakulev, V. A.、Berseneva, V. S.

  DOI：——

  日期：——
• Funakoshi, K.; Inada, H.; Hamana, M., Heterocycles, 1984, vol. 21, # 2, p. 664
  作者：Funakoshi, K.、Inada, H.、Hamana, M.

  DOI：——

  日期：——