[5'-(Tetrahydro-pyran-2-yloxymethyl)-[2,2']bithiophenyl-4-yl]-methanol | 249604-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: [5'-(Tetrahydro-pyran-2-yloxymethyl)-[2,2']bithiophenyl-4-yl]-methanol
• CAS: 249604-38-4
• 化学式: C₁₅H₁₈O₃S₂
• 分子量: 310.438
• InChiKey: ZFEPVGHIQUFTBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [5'-(Tetrahydro-pyran-2-yloxymethyl)-[2,2']bithiophenyl-4-yl]-methanol 在 4-甲基苯磺酸吡啶 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以90%的产率得到(4'-Hydroxymethyl-[2,2']bithiophenyl-5-yl)-methanol
  参考文献：
  名称：

  Novel protein kinase C inhibitors: synthesis and PKC inhibition of β-substituted polythiophene derivatives

  摘要：

  A series of beta-substituted polythiophene derivatives was synthesized through palladium-catalyzed coupling reaction. Their structure-protein kinase C (PKC) inhibitory activity relationship was studied. The carboxaldehyde and hydroxymethyl derivatives of alpha-terthiophene were potent PKC inhibitors (IC50 = 10(-7) M). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00375-3
• 作为产物：
  描述：

  5'-(Tetrahydro-pyran-2-yloxymethyl)-[2,2']bithiophenyl-4-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以99%的产率得到[5'-(Tetrahydro-pyran-2-yloxymethyl)-[2,2']bithiophenyl-4-yl]-methanol
  参考文献：
  名称：

  Novel protein kinase C inhibitors: synthesis and PKC inhibition of β-substituted polythiophene derivatives

  摘要：

  A series of beta-substituted polythiophene derivatives was synthesized through palladium-catalyzed coupling reaction. Their structure-protein kinase C (PKC) inhibitory activity relationship was studied. The carboxaldehyde and hydroxymethyl derivatives of alpha-terthiophene were potent PKC inhibitors (IC50 = 10(-7) M). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00375-3