(2,2,3,3,12,12,13,13-octamethyl-7,8,17,18-tetraphenyltetraazachlorinato)nickel(II) | 943980-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (2,2,3,3,12,12,13,13-octamethyl-7,8,17,18-tetraphenyltetraazachlorinato)nickel(II)
• 英文别名: bacteriochlorin；Nickel(2+);9,9,10,10,19,19,20,20-octamethyl-4,5,14,15-tetraphenyl-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaene；nickel(2+);9,9,10,10,19,19,20,20-octamethyl-4,5,14,15-tetraphenyl-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaene
• CAS: 943980-50-5
• 化学式: C₄₈H₄₄N₈Ni
• 分子量: 791.621
• InChiKey: FRGHWYTUVYEGNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.33
• 重原子数：
  57
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  四甲基琥珀腈 、 diphenylfumaronitrile 、 nickel dichloride 在 ammonium molybdate 作用下， 以 喹啉 为溶剂， 以32.2%的产率得到(2,2,3,3-tetramethyl-7,8,12,13,17,18-hexaphenyltetraazachlorinato)nickel(II)
  参考文献：
  名称：

  Phthalocyanines and related compounds: XLII. Synthesis of phenyl-substituted tetraazachlorins and tetraazabacteriochlorins

  摘要：

  New oxidation-resistant hexaphenyl-substituted tetramethyltetraazachlorin, its nickel complex, and tetraphenyl-substituted octamethyltetraazabacteriochlorin and octamethyltetraazaisobacteriochlorin nickel complexes were synthesized for the first time by mixed condensation of diphenylmaleonitrile with tetramethylsuccinonitrile in the presence of lithium dimethylaminoethoxide or nickel chloride. The products were characterized by electronic absorption, H-1 NMR, and mass spectra. Mixed condensation of diphenylsuccinonitrile with phthalonitrile in the presence of nickel chloride was found to give nickel complexes of phenyl-substituted benzo-fused tetraazaporphyrins rather than their hydrogenated derivatives.

  DOI：

  10.1134/s1070363206070280