cyanohexatriyne | 65937-22-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cyanohexatriyne
• 英文别名: Hepta-2,4,6-triynenitrile
• CAS: 65937-22-6
• 化学式: C₇HN
• 分子量: 99.0916
• InChiKey: XRJCSTPFBZTAPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲烷 、 乙腈 生成 hexa-1,3,5-triyne 、 Tetradecaheptain 、 cyanohexatriyne 、 Trideca-2,4,6,8,10,12-hexaynenitrile
  参考文献：
  名称：

  Submerged electric arc between graphite electrodes: a one-pot tool for the synthesis of long-chain polyynes in solution

  摘要：

  Polyynes, a class of molecules described by the general formula H-(CdropC)(m)H (where m is an integer) can be synthesized using an electric arc between graphite electrodes submerged in an organic solvent such as methanol, n-hexane, n-dodecane, decahydronaphthalene or acetonitrile. When the electric are is used in acetonitrile at -40degreesC, polyyne chains of up to 18 carbon atoms (m = 9) have been produced together with monocyanopolyyne as by-product. The polyynes can be reduced to ene-ynes by shaking a hexane solution of them with Zn/HCl. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.10.100

文献信息

• Submerged electric arc between graphite electrodes: a one-pot tool for the synthesis of long-chain polyynes in solution
  作者：Franco Cataldo

  DOI：10.1016/j.tetlet.2003.10.100

  日期：2004.1

  Polyynes, a class of molecules described by the general formula H-(CdropC)(m)H (where m is an integer) can be synthesized using an electric arc between graphite electrodes submerged in an organic solvent such as methanol, n-hexane, n-dodecane, decahydronaphthalene or acetonitrile. When the electric are is used in acetonitrile at -40degreesC, polyyne chains of up to 18 carbon atoms (m = 9) have been produced together with monocyanopolyyne as by-product. The polyynes can be reduced to ene-ynes by shaking a hexane solution of them with Zn/HCl. (C) 2003 Elsevier Ltd. All rights reserved.