potassium isocyanate | 13237-46-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: potassium isocyanate
• 英文别名: Kaliumformamid；formamide; potassium-compound；Formamid; Kalium-Verbindung；potassium cyanate；Potassium;formylazanide
• CAS: 13237-46-2
• 化学式: CH₂NO*K
• 分子量: 83.1313
• InChiKey: LDAKDHFODVFZFV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  potassium isocyanate 、 环己胺 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 5.0h， 以83%的产率得到N-环己基脲
  参考文献：
  名称：

  Spontaneous Lossen Rearrangement of (Phosphonoformyl)hydroxamates. The Migratory Aptitude of the Phosphonyl Group

  摘要：

  (i-PrO)(2)P(=O)COSEt (1) reacted with NH2OH in pyridine at room temperature to give mainly (i-PrO)(2)P(=O)NH2 (4). The formation of 4 was interpreted in terms of a spontaneous Lessen rearrangement of (i-PrO)(2)P(=O)CONHOH (2a) formed in the reaction. A transient (PNMR)-P-31 signal appearing in the reaction mixture at delta -1.8 was assigned to 2a. Trapping of (i-PrO)(2)P(=O)N=C=O (5), formed in the reaction of 1 and NH2OH, by cyclohexylamine gave (i-PrO)(2)P(=O)NHCONHC6H11 (6). Attempted isolation of 6 gave the hydrolyzed product N-cyclohexylurea (7). The reaction of 1 with NH2OMe proceeded slower than that with NH2OH and gave the expected (i-PrO)(2)P(=O)CONHOMe (2b), which was isolated and identified. 2b converts slowly to 4 in pyridine at room temperature. In contrast, MeNHOH reacted rapidly with 1 and gave the stable crystalline (i-PrO)(2)P(=O)CON(Me)OH (2c). The structure of hydroxamates 2 were assigned on the basis of H-1, C-13, and P-31 NMR spectral data. This facile Lossen rearrangement is discussed in terms of the unusually high migratory aptitude of the phosphonyl group.

  DOI：

  10.1021/jo962075k
• 作为产物：
  描述：

  formamide 在 氨 、 sodium amide 作用下， 生成 potassium isocyanate
  参考文献：
  名称：

  Franklin, Journal of the American Chemical Society, 1933, vol. 55, p. 4916

  摘要：

  DOI：

文献信息

• WO2007/147771
  申请人：——

  公开号：——

  公开（公告）日：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: K: MVol.2, 1.3, page 251 - 259
  作者：

  DOI：——

  日期：——
• WO2007/147762
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2008/30412
  申请人：——

  公开号：——

  公开（公告）日：——
• Bergstrom, F. W.; Fernelius, W. C., Chemical Reviews, 1933, vol. 12, p. 103 - 146
  作者：Bergstrom, F. W.、Fernelius, W. C.

  DOI：——

  日期：——