3-Bromo-2-ethoxy-5-methanesulfinyl-benzaldehyde | 708272-81-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-Bromo-2-ethoxy-5-methanesulfinyl-benzaldehyde
• CAS: 708272-81-5
• 化学式: C₁₀H₁₁BrO₃S
• 分子量: 291.166
• InChiKey: AAJVMOJDOGCKMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N1-(4-(4-methoxybenzyloxy)quinolin-2-yl)propane-1,3-diamine 、 3-Bromo-2-ethoxy-5-methanesulfinyl-benzaldehyde 在 resin-bound cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 2-[3-(3-Bromo-2-ethoxy-5-methanesulfinyl-benzylamino)-propylamino]-1H-quinolin-4-one
  参考文献：
  名称：

  Optimisation of aryl substitution leading to potent methionyl tRNA synthetase inhibitors with excellent gram-Positive antibacterial activity

  摘要：

  Optimisation of the left-hand-side aryl moiety of a file compound screening hit against Staphylococcus aureus methionyl tRNA synthetase led to the identification of a series of potent nanomolar inhibitors. The best compounds showed excellent antibacterial activity against staphylococcal and enterococcal pathogens. including strains resistant to clinical antibiotics. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01027-2
• 作为产物：
  描述：

  2-(3-Bromo-2-ethoxy-5-methylsulfanyl-phenyl)-[1,3]dioxolane 在 4-甲基苯磺酸吡啶 、 间氯过氧苯甲酸 作用下， 以 丙酮 为溶剂， 生成 3-Bromo-2-ethoxy-5-methanesulfinyl-benzaldehyde
  参考文献：
  名称：

  Optimisation of aryl substitution leading to potent methionyl tRNA synthetase inhibitors with excellent gram-Positive antibacterial activity

  摘要：

  Optimisation of the left-hand-side aryl moiety of a file compound screening hit against Staphylococcus aureus methionyl tRNA synthetase led to the identification of a series of potent nanomolar inhibitors. The best compounds showed excellent antibacterial activity against staphylococcal and enterococcal pathogens. including strains resistant to clinical antibiotics. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01027-2