[6-(4-nitrophenyl)-2-(6-methylbenzofuran-3-ylmethyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol | 1061271-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [6-(4-nitrophenyl)-2-(6-methylbenzofuran-3-ylmethyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
• CAS: 1061271-12-2
• 化学式: C₂₁H₁₆N₄O₄S
• 分子量: 420.448
• InChiKey: OKMQBKPLKWEKHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  106.7
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  6-(4-nitrophenyl)-2-(6-methylbenzofuran-3-ylmethyl)-imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以72%的产率得到[6-(4-nitrophenyl)-2-(6-methylbenzofuran-3-ylmethyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
  参考文献：
  名称：

  Synthesis and anti-inflammatory evaluation of methylene bridged benzofuranyl imidazo[2,1-b][1,3,4]thiadiazoles

  摘要：

  A series of 6-substituted and 5,6-disubstituted 2-(6-methyl-benzofuran-3-ylmethyl)-imidazo[2,1-b] [ 1,3,4]thiadiazoles have been synthesized. The new compounds have been tested for their in vivo analgesic, anti-inflammatory activities. Qualitative SAR studies indicate that the chloro substitution in the imidazole ring and introduction of formyl group at C-5 position of the imidazole ring increased the anti-inflammatory and analgesic activity. All the newly synthesized compounds have been characterized by spectral data and ORTEP diagram of one of the intermediates 6-(4-chlorophenyl)-2-(6-methyl-benzofuran-3-ylmethyl)-5-morpholin-4-ylmethyl imidazo[2,1-b][1,3,4]thiadiazole is reported herein. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.06.023