3-[4-(Benzyloxy)phenyl]-2-bromo-1-phenylpropan-1-one | 62437-21-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-[4-(Benzyloxy)phenyl]-2-bromo-1-phenylpropan-1-one
• 英文别名: 2-bromo-1-phenyl-3-(4-phenylmethoxyphenyl)propan-1-one
• CAS: 62437-21-2
• 化学式: C₂₂H₁₉BrO₂
• 分子量: 395.296
• InChiKey: JZERXQPXEIFVBF-UHFFFAOYSA-N

物化性质

• 沸点：
  510.1±45.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[4-(Benzyloxy)phenyl]-2-bromo-1-phenylpropan-1-one 在 三氯化硼 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-[(2-Amino-4-phenyl-1,3-thiazol-5-yl)methyl]phenol
  参考文献：
  名称：

  Synthesis and biological evaluation of analogues of the anti-tumor alkaloid naamidine A

  摘要：

  A small series of derivatives of the alkaloid naamidine A was synthesized and tested in vitro for their ability to inhibit mitogenesis in BaF/ERX cells. Replacement of the imidazole core with a thiazole was found to have only a minor effect on potency, and the 4-metlioxybenzyl substituent of the natural product was shown to be unnecessary for activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.017
• 作为产物：
  描述：

  对羟基苯乙醇 在 吡啶 、 二溴亚砜 、 potassium carbonate 、 戴斯-马丁氧化剂 、 sodium hydrogensulfite 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 78.33h， 生成 3-[4-(Benzyloxy)phenyl]-2-bromo-1-phenylpropan-1-one
  参考文献：
  名称：

  Synthesis and biological evaluation of analogues of the anti-tumor alkaloid naamidine A

  摘要：

  A small series of derivatives of the alkaloid naamidine A was synthesized and tested in vitro for their ability to inhibit mitogenesis in BaF/ERX cells. Replacement of the imidazole core with a thiazole was found to have only a minor effect on potency, and the 4-metlioxybenzyl substituent of the natural product was shown to be unnecessary for activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.017

文献信息

• Synthesis and biological evaluation of analogues of the anti-tumor alkaloid naamidine A
  作者：Nicholas Aberle、Jenny Catimel、Edouard C. Nice、Keith G. Watson

  DOI：10.1016/j.bmcl.2007.04.017

  日期：2007.7

  A small series of derivatives of the alkaloid naamidine A was synthesized and tested in vitro for their ability to inhibit mitogenesis in BaF/ERX cells. Replacement of the imidazole core with a thiazole was found to have only a minor effect on potency, and the 4-metlioxybenzyl substituent of the natural product was shown to be unnecessary for activity. (c) 2007 Elsevier Ltd. All rights reserved.