3-Amino-1-(3-methoxy-phenyl)-propan-1-one; hydrochloride

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Amino-1-(3-methoxy-phenyl)-propan-1-one; hydrochloride
• 英文别名: [3-(3-Methoxyphenyl)-3-oxopropyl]azanium;chloride；[3-(3-methoxyphenyl)-3-oxopropyl]azanium;chloride
• 化学式: C₁₀H₁₃NO₂*ClH
• 分子量: 215.68
• InChiKey: UIDNWPNLCWTMFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  imidazole-1-carbothionic acid (5-bromopyridin-2-yl)amide 、 3-Amino-1-(3-methoxy-phenyl)-propan-1-one; hydrochloride 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 1-(5-Bromo-pyridin-2-yl)-3-[3-(3-methoxy-phenyl)-3-oxo-propyl]-thiourea
  参考文献：
  名称：

  Bioisosteric modification of PETT-HIV-1 RT-inhibitors: synthesis and biological evaluation

  摘要：

  Bioisosteric substitution of the thiourea (3, 5, 7, 9) and urea (10) moiety of PETT compounds with sulfamide (1), cyanoguanidine (2, 4) and guanidine (6, 8) functionalities, and replacement of the phenethyl group with benzoylethyl group (compounds 11-20) have been studied. Synthesis and antiviral activities are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00675-7
• 作为产物：
  描述：

  聚合甲醛 、 3-甲氧基苯乙酮 在 氯化铵 作用下， 生成 3-Amino-1-(3-methoxy-phenyl)-propan-1-one; hydrochloride
  参考文献：
  名称：

  Bioisosteric modification of PETT-HIV-1 RT-inhibitors: synthesis and biological evaluation

  摘要：

  Bioisosteric substitution of the thiourea (3, 5, 7, 9) and urea (10) moiety of PETT compounds with sulfamide (1), cyanoguanidine (2, 4) and guanidine (6, 8) functionalities, and replacement of the phenethyl group with benzoylethyl group (compounds 11-20) have been studied. Synthesis and antiviral activities are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00675-7

文献信息

• Bioisosteric modification of PETT-HIV-1 RT-inhibitors: synthesis and biological evaluation
  作者：Marita Högberg、Per Engelhardt、Lotta Vrang、Hong Zhang

  DOI：10.1016/s0960-894x(99)00675-7

  日期：2000.2

  Bioisosteric substitution of the thiourea (3, 5, 7, 9) and urea (10) moiety of PETT compounds with sulfamide (1), cyanoguanidine (2, 4) and guanidine (6, 8) functionalities, and replacement of the phenethyl group with benzoylethyl group (compounds 11-20) have been studied. Synthesis and antiviral activities are described. (C) 2000 Elsevier Science Ltd. All rights reserved.