dimethyl 2-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)amino]-5-oxo-4H-pyrano[3,2-c]chromene-3,4-dicarboxylate | 1449493-48-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: dimethyl 2-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)amino]-5-oxo-4H-pyrano[3,2-c]chromene-3,4-dicarboxylate
• CAS: 1449493-48-4
• 化学式: C₃₁H₂₉NO₇
• 分子量: 527.574
• InChiKey: SCKCFIRYBRQLIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-羟基香豆素 、 3-isocyano-7-isopropyl-1,4-dimethylazulene 、 丁炔二酸二甲酯 以 二氯甲烷 为溶剂， 反应 22.0h， 以72%的产率得到dimethyl 2-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)amino]-5-oxo-4H-pyrano[3,2-c]chromene-3,4-dicarboxylate
  参考文献：
  名称：

  FACILE SYNTHESIS OF GUAIAZULENE-HETEROCYCLE HYBRIDS VIA MULTICOMPONENT REACTIONS INVOLVING FORMATION OF ZWITTERIONIC INTERMEDIATES

  摘要：

  The synthesis of a series of guaiazulene-heterocycle hybrids via zwitterionic intermediates was performed. The multicomponent reactions of 3-isocyano-7-isopropyl-1,4-dimethylazulene 1, dimethyl acetylenedicarboxylate 2, and a third reactant 3 (cyclic CH-acids, phenols, aldehydes or amines) proceeded to afford heterocyclic guaiazulene derivatives 4.

  DOI：

  10.3987/com-13-12680

文献信息

• FACILE SYNTHESIS OF GUAIAZULENE-HETEROCYCLE HYBRIDS VIA MULTICOMPONENT REACTIONS INVOLVING FORMATION OF ZWITTERIONIC INTERMEDIATES
  作者：Koichi Sato、Erina Yokoo、Naoko Takenaga

  DOI：10.3987/com-13-12680

  日期：——

  The synthesis of a series of guaiazulene-heterocycle hybrids via zwitterionic intermediates was performed. The multicomponent reactions of 3-isocyano-7-isopropyl-1,4-dimethylazulene 1, dimethyl acetylenedicarboxylate 2, and a third reactant 3 (cyclic CH-acids, phenols, aldehydes or amines) proceeded to afford heterocyclic guaiazulene derivatives 4.