2-methyl-8-[(2,3-dimethyl-4-oxo-2,4-dihydrochromeno[4,3-c]pyrazol-8-yl)methyl]-3-methyl-2,4-dihydrochromeno[4,3-c]pyrazol-4-one | 1000809-01-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-methyl-8-[(2,3-dimethyl-4-oxo-2,4-dihydrochromeno[4,3-c]pyrazol-8-yl)methyl]-3-methyl-2,4-dihydrochromeno[4,3-c]pyrazol-4-one
• 英文别名: 8,8'-methylenebis(2,3-dimethylchromeno[4,3-c]pyrazol-4(2H)-one)；8-[(2,3-Dimethyl-4-oxochromeno[4,3-c]pyrazol-8-yl)methyl]-2,3-dimethylchromeno[4,3-c]pyrazol-4-one
• CAS: 1000809-01-7
• 化学式: C₂₅H₂₀N₄O₄
• 分子量: 440.458
• InChiKey: CVMNFEMVWJANPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-hydroxy-6-[[4-hydroxy-3-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-2-oxochromen-6-yl]methyl]-3-[(E)-C-methyl-N-(methylamino)carbonimidoyl]chromen-2-one 在 溶剂黄146 作用下， 反应 4.0h， 以62%的产率得到2-methyl-8-[(2,3-dimethyl-4-oxo-2,4-dihydrochromeno[4,3-c]pyrazol-8-yl)methyl]-3-methyl-2,4-dihydrochromeno[4,3-c]pyrazol-4-one
  参考文献：
  名称：

  Sanjeeva Reddy; Nagaraj, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 2, p. 319 - 324

  摘要：

  DOI：

文献信息

• Rapid and efficient microwave assisted method for the regioselective synthesis of 8,8′-methylene-bis-4-oxo-1H and 2H-chromeno[4,3-C]pyrazoles
  作者：Adki Nagaraj、Cherkupally Sanjeeva Reddy

  DOI：10.1002/jhet.5570440619

  日期：2007.11

  compound 3 on reacting with ethylacetoacetate yields 6,6′-methylenebis-(3-acetyl-4-hydroxycoumarin) 4. The compound 4 was regioselectively converted into either 8,8′-methylene-bis-(4-oxo-1H-chromeno[4,3-c]pyrazoles) 6 or 8,8′-methylene-bis(-4-oxo-2H-chromeno[4,3-c]-pyrazoles) 7 under microwave irradiation. High yields are achieved even on a gram scale, while reaction times are considerably shortened compared

  的5,5'-亚甲基-双-水杨酸乙酯3是由5,5'-亚甲基-双-水杨酸酯化制备2。与乙酰乙酸乙酯反应的化合物3产生6,6'-亚甲基双-（3-乙酰基-4-羟基香豆素）4。将化合物4区域选择性地转化为8,8'-亚甲基-双-（4-oxo-1 H -chromeno [4,3- c ]吡唑）6或8,8'-亚甲基-双（-4-oxo） -2 H -chromeno [4,3- c ]-吡唑）7在微波照射下。即使以克为单位，也可实现高收率，而与常规加热条件相比，反应时间大大缩短。
• Sanjeeva Reddy; Nagaraj, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 2, p. 319 - 324
  作者：Sanjeeva Reddy、Nagaraj

  DOI：——

  日期：——