(2-hydroxy-3-methoxyphenyl)(5-methyl-2-thienyl)methanone | 155644-81-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-hydroxy-3-methoxyphenyl)(5-methyl-2-thienyl)methanone
• 英文别名: (2-Hydroxy-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
• CAS: 155644-81-8
• 化学式: C₁₃H₁₂O₃S
• 分子量: 248.302
• InChiKey: NXKHSTBZIUEVOC-UHFFFAOYSA-N

物化性质

• 沸点：
  389.3±42.0 °C(predicted)
• 密度：
  1.268±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-hydroxy-3-methoxyphenyl)(5-methyl-2-thienyl)methanone 在 盐酸羟胺 、 sodium hydride 作用下， 以 sodium hydroxide 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 7-methoxy-2-(5-methyl-2-thienyl) benzoxazole
  参考文献：
  名称：

  Synthesis and inhibitory effects on platelet aggregation of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazole derivatives

  摘要：

  A series of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazoles as well as some isomeric benzoxazoles were synthesized and tested in vitro for their inhibitory effect on arachidonic acid-induced human platelet aggregation. The most active compound (7-methoxy-3-(2-thienyl)-1,2-benzisoxazole 5c) was nearly 20-30-fold more potent than acetylsalicylic acid in inhibiting platelet aggregation. Structure-activity relationships within the series are briefly discussed.

  DOI：

  10.1016/0223-5234(94)90129-5
• 作为产物：
  描述：

  2,3-二甲氧基苯甲酸 在 三氯化铝 、 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 (2-hydroxy-3-methoxyphenyl)(5-methyl-2-thienyl)methanone
  参考文献：
  名称：

  Synthesis and inhibitory effects on platelet aggregation of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazole derivatives

  摘要：

  A series of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazoles as well as some isomeric benzoxazoles were synthesized and tested in vitro for their inhibitory effect on arachidonic acid-induced human platelet aggregation. The most active compound (7-methoxy-3-(2-thienyl)-1,2-benzisoxazole 5c) was nearly 20-30-fold more potent than acetylsalicylic acid in inhibiting platelet aggregation. Structure-activity relationships within the series are briefly discussed.

  DOI：

  10.1016/0223-5234(94)90129-5

文献信息

• Synthesis and inhibitory effects on platelet aggregation of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazole derivatives
  作者：A Nuhrich、M Varache-Lembège、P Renard、G Devaux

  DOI：10.1016/0223-5234(94)90129-5

  日期：1994.1

  A series of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazoles as well as some isomeric benzoxazoles were synthesized and tested in vitro for their inhibitory effect on arachidonic acid-induced human platelet aggregation. The most active compound (7-methoxy-3-(2-thienyl)-1,2-benzisoxazole 5c) was nearly 20-30-fold more potent than acetylsalicylic acid in inhibiting platelet aggregation. Structure-activity relationships within the series are briefly discussed.