2-Azido-1-(4-isobutoxy-phenyl)-propan-1-one | 441787-65-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Azido-1-(4-isobutoxy-phenyl)-propan-1-one
• CAS: 441787-65-1
• 化学式: C₁₃H₁₇N₃O₂
• 分子量: 247.297
• InChiKey: QLMJLSJKIMFKGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  75.06
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-Azido-1-(4-isobutoxy-phenyl)-propan-1-one 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-Amino-1-(4-isobutoxy-phenyl)-propan-1-one
  参考文献：
  名称：

  Initial Structure–Activity Relationship Studies of a Novel Series of Pyrrolo[1,2-a]pyrimid-7-ones as GnRH Receptor Antagonists

  摘要：

  Initial SAR studies on 1-aminomethyl-2-aryl-3-cyano-pyrrolo[1,2-a]pyrimid-7-one-6-carboxylates as human GnRH receptor antagonists were discussed. 2-(2-Methylaminoethyl)pyridine was discovered to be a key feature for generating active compounds. The best compound from the series had 25 nM (K-i) binding affinity to human GnRH receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00779-x
• 作为产物：
  描述：

  1-(4-异丁氧基苯基)丙烷-1-酮 在 sodium azide 、 copper(ll) bromide 作用下， 以 四氢呋喃 、 氯仿 、 乙酸乙酯 为溶剂， 生成 2-Azido-1-(4-isobutoxy-phenyl)-propan-1-one
  参考文献：
  名称：

  Initial Structure–Activity Relationship Studies of a Novel Series of Pyrrolo[1,2-a]pyrimid-7-ones as GnRH Receptor Antagonists

  摘要：

  Initial SAR studies on 1-aminomethyl-2-aryl-3-cyano-pyrrolo[1,2-a]pyrimid-7-one-6-carboxylates as human GnRH receptor antagonists were discussed. 2-(2-Methylaminoethyl)pyridine was discovered to be a key feature for generating active compounds. The best compound from the series had 25 nM (K-i) binding affinity to human GnRH receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00779-x