3-Fluoro-4-(3-hydroxypropoxy)benzaldehyde | 937732-86-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-Fluoro-4-(3-hydroxypropoxy)benzaldehyde
• 英文别名: 3-fluoro-4-(3-hydroxypropoxy)benzaldehyde
• CAS: 937732-86-0
• 化学式: C₁₀H₁₁FO₃
• 分子量: 198.194
• InChiKey: RYXJBPQKSBEIBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Fluoro-4-(3-hydroxypropoxy)benzaldehyde 在 PS-Ph₃P 、 MP-CNBH₃ 、 偶氮二甲酸二苄酯 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-[1-[[4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propoxy]-3-fluorophenyl]methyl]piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
  参考文献：
  名称：

  Identification of diamino chromone-2-carboxamides as MCHr1 antagonists with minimal hERG channel activity

  摘要：

  A series of potent 2-carboxychromone-based melanin-concentrating hormone receptor I (MCHrl) antagonists were synthesized and evaluated for hERG (human Ether-a-go-go Related Gene) channel affinity and functional blockade. Basic dialkyl-amine-terminated analogs were found to weakly bind the hERG channel and provided marked improvement in a functional patch-clamp assay versus previously reported antagonists of the series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.068
• 作为产物：
  描述：

  3-氟-4-羟基苯甲醛 、 3-溴-1-丙醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以77%的产率得到3-Fluoro-4-(3-hydroxypropoxy)benzaldehyde
  参考文献：
  名称：

  Identification of diamino chromone-2-carboxamides as MCHr1 antagonists with minimal hERG channel activity

  摘要：

  A series of potent 2-carboxychromone-based melanin-concentrating hormone receptor I (MCHrl) antagonists were synthesized and evaluated for hERG (human Ether-a-go-go Related Gene) channel affinity and functional blockade. Basic dialkyl-amine-terminated analogs were found to weakly bind the hERG channel and provided marked improvement in a functional patch-clamp assay versus previously reported antagonists of the series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.068