Diisocyanomethane | 927-79-7

• 英文名称: Diisocyanomethane
• 英文别名: Diisocyanomethan；Methylene-isonitrile
• CAS: 927-79-7
• 化学式: C₃H₂N₂
• 分子量: 66.0623
• InChiKey: CTFQSPGMSLBQQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  8.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Diisocyanomethane 、 六羰基铬 以 四氢呋喃 为溶剂， 以64.2%的产率得到pentacarbonyl(diisocyanomethane)chromium
  参考文献：
  名称：

  Synthese und Koordinationschemie von Diisocyanmethan

  摘要：

  Disocyanomethane (1) was synthesized starting from bis(formylamido)methane by the Ugi method. 1 decomposes vigourously above its melting point (-15degreesC) into a brown insoluble solid. The isocyanide can be stabilized by coordination to a transition metal complex fragment. The complexes (CO)(5)Cr(CN-CH2-NC) (2), (CO)(5)Cr(CN-CH2-NC)Cr(CO)(5) (3), CpMn(CO)(2)(CN-CH2-NC) (4). CpMn(CO2)(CN-CH2-NC)(CO)(2)MnCp (5), CpMn(CO)(2)-(CN-CH2-NC)Cr(CO)(5) (6), CpMn(CO)(2)(CN-CH2-NC)Cu(pz*)(3)BH (7) and (CO)(5)Cr(CN-CH2-NC)Cu(pz*)(3)BH (8) (pz* = 3.5-dimethylpyrazolyl) were synthesized and characterized spectroscopically. The structures of bis(formylamido)methane, monoclinic, P2(1)/c, a = 9.189(5), b = 6.881(3), c = 7.616(2) Angstrom, beta = 91.24(4)degrees, R-1 = 0.0475, wR(2) = 0.1748, and the diisocyanomethane complexes 2, monoclinic, C2/c, a = 24.996(7), b 5.882(2), c = 20.572(6) Angstrom, beta = 134.62(2)degrees, R-1 = 0.0582, wR(2) = 0.1357, 4, monoclinic, P2(1)/a, a = 12.143(4), b = 5.848(2), c = 14.301(5) Angstrom, beta = 97.77(3)degrees, R-1 = 0.0355, wR(2) = 0.0972, 6 monoclinic, P2(1)/c, a 11.537(7). b = 12.248(5). c = 12.54(2) Angstrom, beta = 102.75(8), R-1 = 0.1333. wR(2) = 0.3024 and 7, triclinic, P(1) over bar, a 9.8841(9), b = 9.9517(9), c = 16.2479(15) Angstrom, alpha = 104.790(2), beta = 90.530(2) gamma = 98.213(2)degrees, R-1 = 0.0416, wR(2) = 0.1198 were determined by single crystal X-ray diffraction.

  DOI：

  10.1002/1521-3749(200205)628:4<863::aid-zaac863>3.0.co;2-i
• 作为产物：
  描述：

  亚甲基二甲酰胺 在 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 以75.8%的产率得到Diisocyanomethane
  参考文献：
  名称：

  Synthesis, Structure, and Coordination Chemistry of Diisocyanomethane

  摘要：

  DOI：

  10.1002/anie.199723721

文献信息

• Koritsanszky, Tibor; Buschmann, Juergen; Lentz, Dieter, Chemistry - A European Journal, 1999, vol. 5, # 11, p. 3413 - 3420
  作者：Koritsanszky, Tibor、Buschmann, Juergen、Lentz, Dieter、Luger, Peter、Perpetuo, Genivaldo、Roettger, Matthias

  DOI：——

  日期：——