methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate | 449787-27-3

• 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: methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate
• 英文别名: methyl 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
• CAS: 449787-27-3
• 化学式: C₁₃H₁₁ClO₅
• 分子量: 282.68
• InChiKey: DWQBKRVWQYYUIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-氨基苯基)苯并噻唑 、 methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate 以 甲醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Co-crystal structure of mixed molecules of methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate and 2-(2-aminophenyl)benzothiazole

  摘要：

  A co-crystal is obtained in a methanolic solution from methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate and 2-(2-aminophenyl)benzothiazole. In the crystal these molecules are connected via usual N-HaEuro broken vertical bar O and weak C-HaEuro broken vertical bar O H-bonds. The co-crystals are very stable.

  DOI：

  10.1134/s002247661303030x

文献信息

• Co-crystal structure of mixed molecules of methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate and 2-(2-aminophenyl)benzothiazole
  作者：A. A. Al-Amiery、A. A. Al-Temimi、A. A. H. Kadhum、Ya. K. Al-Majedy、R. I. Al-Bayati、H. A. Aday、A. B. Mohamad

  DOI：10.1134/s002247661303030x

  日期：2013.5

  A co-crystal is obtained in a methanolic solution from methyl 2-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yloxy)acetate and 2-(2-aminophenyl)benzothiazole. In the crystal these molecules are connected via usual N-HaEuro broken vertical bar O and weak C-HaEuro broken vertical bar O H-bonds. The co-crystals are very stable.