6-bromo-5-cyano-2,2-dimethyl-1,3-benzodioxole | 374588-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 6-bromo-5-cyano-2,2-dimethyl-1,3-benzodioxole
• 英文别名: 2-bromo-4,5-isopropylidenedioxybenzonitrile；6-Bromo-2,2-dimethyl-1,3-benzodioxole-5-carbonitrile
• CAS: 374588-88-2
• 化学式: C₁₀H₈BrNO₂
• 分子量: 254.083
• InChiKey: GFSSQPHZWVOCGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-bromo-5-cyano-2,2-dimethyl-1,3-benzodioxole 在 zinc diacetate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 zinc 2,3,9,10,16,17,23,24-tetra(isopropylidenedioxy)phthalocyanine
  参考文献：
  名称：

  摘要：

  A series of new metal monophthalocyanine complexes were synthesized from 4,5-iso-propylidenedioxyphthalonitrile and their spectroscopic and electrochemical properties were studied. The removal of the protective isopropylidene groups from these compounds afforded symmetrically substituted octahydroxyphthalocyanines.

  DOI：

  10.1023/a:1025693009575
• 作为产物：
  描述：

  5,6-dibromo-2,2-dimethyl-1,3-benzodioxole 、 氰化亚铜 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以36%的产率得到5,6-dicyano-2,2-dimethyl-1,3-benzodioxole
  参考文献：
  名称：

  摘要：

  4,5-Dihydroxyphthalonitrile was synthesized from pyrocatechol in a simple way. The compound obtained is a convenient starting reagent for the preparation of 4,5-dialkoxyphtlialonitriles.

  DOI：

  10.1023/a:1011387916186

文献信息

• ——
  作者：A. V. Ivanov、P. A. Svinareva、I. V. Zhukov、L. G. Tomilova、N. S. Zefirov

  DOI：10.1023/a:1025693009575

  日期：——

  A series of new metal monophthalocyanine complexes were synthesized from 4,5-iso-propylidenedioxyphthalonitrile and their spectroscopic and electrochemical properties were studied. The removal of the protective isopropylidene groups from these compounds afforded symmetrically substituted octahydroxyphthalocyanines.
• ——
  作者：A. V. Ivanov、P. A. Svinareva、L. G. Tomilova、N. S. Zefirov

  DOI：10.1023/a:1011387916186

  日期：——

  4,5-Dihydroxyphthalonitrile was synthesized from pyrocatechol in a simple way. The compound obtained is a convenient starting reagent for the preparation of 4,5-dialkoxyphtlialonitriles.

表征谱图