2-[(9-amino-6,7-dimethoxy-3-phenyl-3,4-dihydro-2H-acridin-1-ylidene)amino]-4,5-dimethoxybenzonitrile | 1179998-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-[(9-amino-6,7-dimethoxy-3-phenyl-3,4-dihydro-2H-acridin-1-ylidene)amino]-4,5-dimethoxybenzonitrile
• CAS: 1179998-38-9
• 化学式: C₃₀H₂₈N₄O₄
• 分子量: 508.577
• InChiKey: VLGYKCAOQAFDSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[(9-amino-6,7-dimethoxy-3-phenyl-3,4-dihydro-2H-acridin-1-ylidene)amino]-4,5-dimethoxybenzonitrile 在 potassium carbonate 、 copper(l) chloride 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以5.5 g的产率得到6,14-diamino-3,4,11,12-tetramethoxy-7-phenyl-7,8-dihydro-quinolino[2,3-a]acridine
  参考文献：
  名称：

  Synthesis and Crystal Structure of 7,8-Dihydroquinolino[2,3-a]acridine Derivatives

  摘要：

  Novel 9-amino-3-substituted-1,2,3,4-acridin-1-one derivatives and 9,14-diamino-7-substituted-7,8-dihydroquinolino[2,3-a]acridine derivatives were synthesized by the condensation reaction of 5-substituted-1,3-cyclohexanedione with 2-aminobenzonitrile and substituted 2-aminobenzonitrile using p-toluenesulfonic acid, K2CO3, and Cu2Cl2 as catalysts. The structures of all compounds were characterized by elemental analysis, infrared, mass spectrometry, and 1H and 13C NMR spectra. The crystal and molecular structures of 6, 14-diamino-3,4,11,12-tetramethoxy-7-phenyl-7,8-dihydroquinolino[2,3-a]acridine 5a have been determined by single-crystal x-ray diffraction analysis. The crystal of compound 5a belongs to triclinic with space group P-1, a=1.06168(15) nm, b=1.16951(17) nm, c=1.6020(2) nm, =71.380(3)degrees, =77.686(3)degrees, =66.743(3)degrees, Z=2, V=1.7231(4) nm3, R1=0.1060, and wR2=0.2192.

  DOI：

  10.1080/00397910802656042
• 作为产物：
  描述：

  9-amino-6,7-dimethoxy-3-phenyl-1,2,3,4-tetrahydroacridin-1-one 、 2-氨基-4,5-二甲氧基苯腈 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以54.5%的产率得到2-[(9-amino-6,7-dimethoxy-3-phenyl-3,4-dihydro-2H-acridin-1-ylidene)amino]-4,5-dimethoxybenzonitrile
  参考文献：
  名称：

  Synthesis and Crystal Structure of 7,8-Dihydroquinolino[2,3-a]acridine Derivatives

  摘要：

  Novel 9-amino-3-substituted-1,2,3,4-acridin-1-one derivatives and 9,14-diamino-7-substituted-7,8-dihydroquinolino[2,3-a]acridine derivatives were synthesized by the condensation reaction of 5-substituted-1,3-cyclohexanedione with 2-aminobenzonitrile and substituted 2-aminobenzonitrile using p-toluenesulfonic acid, K2CO3, and Cu2Cl2 as catalysts. The structures of all compounds were characterized by elemental analysis, infrared, mass spectrometry, and 1H and 13C NMR spectra. The crystal and molecular structures of 6, 14-diamino-3,4,11,12-tetramethoxy-7-phenyl-7,8-dihydroquinolino[2,3-a]acridine 5a have been determined by single-crystal x-ray diffraction analysis. The crystal of compound 5a belongs to triclinic with space group P-1, a=1.06168(15) nm, b=1.16951(17) nm, c=1.6020(2) nm, =71.380(3)degrees, =77.686(3)degrees, =66.743(3)degrees, Z=2, V=1.7231(4) nm3, R1=0.1060, and wR2=0.2192.

  DOI：

  10.1080/00397910802656042

文献信息

• Synthesis and Crystal Structure of 7,8-Dihydroquinolino[2,3-a]acridine Derivatives
  作者：Guang-Fan Han、Rui-Hua Wang、Wen-Tao Zhang、Yu-Yuan Zhao、Zheng Xing、Wei Dai

  DOI：10.1080/00397910802656042

  日期：2009.6.23

  Novel 9-amino-3-substituted-1,2,3,4-acridin-1-one derivatives and 9,14-diamino-7-substituted-7,8-dihydroquinolino[2,3-a]acridine derivatives were synthesized by the condensation reaction of 5-substituted-1,3-cyclohexanedione with 2-aminobenzonitrile and substituted 2-aminobenzonitrile using p-toluenesulfonic acid, K2CO3, and Cu2Cl2 as catalysts. The structures of all compounds were characterized by elemental analysis, infrared, mass spectrometry, and 1H and 13C NMR spectra. The crystal and molecular structures of 6, 14-diamino-3,4,11,12-tetramethoxy-7-phenyl-7,8-dihydroquinolino[2,3-a]acridine 5a have been determined by single-crystal x-ray diffraction analysis. The crystal of compound 5a belongs to triclinic with space group P-1, a=1.06168(15) nm, b=1.16951(17) nm, c=1.6020(2) nm, =71.380(3)degrees, =77.686(3)degrees, =66.743(3)degrees, Z=2, V=1.7231(4) nm3, R1=0.1060, and wR2=0.2192.