3-Brom-3'-chlor-diphenylether | 6903-64-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Brom-3'-chlor-diphenylether
• 英文别名: 1-Bromo-3-(3-chlorophenoxy)benzene
• CAS: 6903-64-6
• 化学式: C₁₂H₈BrClO
• 分子量: 283.552
• InChiKey: FSICFWWABGOZSJ-UHFFFAOYSA-N

物化性质

• 熔点：
  17 °C
• 沸点：
  331.8±27.0 °C(Predicted)
• 密度：
  1.506±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Brom-3'-chlor-diphenylether 在 platinum(IV) oxide palladium diacetate 、 potassium tert-butylate 、 氢气 、 溶剂黄146 、 牛血清白蛋白 、 三乙胺 、 氯乙酸 、 三(邻甲基苯基)磷 作用下， 以 乙醇 、 乙腈 为溶剂， 25.0~100.0 ℃ 、206.84 kPa 条件下， 反应 59.0h， 生成 [3-Benzoyloxy-2-[[5-[[3-(3-chlorophenoxy)phenyl]methyl]-2,4-dioxopyrimidin-1-yl]methoxy]propyl] benzoate
  参考文献：
  名称：

  Inhibition of Uridine Phosphorylase. Synthesis and Structure−Activity Relationships of Aryl-Substituted 1-((2-Hydroxyethoxy)methyl)-5-(3-phenoxybenzyl)uracil

  摘要：

  Structure-activity relationship studies on a series of 1-((2-hydroxyethoxy)methyl)-5-(3(substituted-phenoxy)benzyl)uracils as inhibitors of murine liver uridine phosphorylase have led to compounds with IC(50)s as low as 1.4 nM. The two most potent compounds, 10j (3-cyanophenoxy) and 11f (3-chlorophenoxy) were tested in vivo for effects on steady-state concentrations of circulating uridine in mice and rats. Both compounds were substantially more efficacious than BAU (5-benzylacyclouridine) both in vitro and in vivo.

  DOI：

  10.1021/jm960688j
• 作为产物：
  描述：

  3-氯苯酚 、 间溴氟苯 在 sodium methylate 作用下， 生成 3-Brom-3'-chlor-diphenylether
  参考文献：
  名称：

  Inhibition of Uridine Phosphorylase. Synthesis and Structure−Activity Relationships of Aryl-Substituted 1-((2-Hydroxyethoxy)methyl)-5-(3-phenoxybenzyl)uracil

  摘要：

  Structure-activity relationship studies on a series of 1-((2-hydroxyethoxy)methyl)-5-(3(substituted-phenoxy)benzyl)uracils as inhibitors of murine liver uridine phosphorylase have led to compounds with IC(50)s as low as 1.4 nM. The two most potent compounds, 10j (3-cyanophenoxy) and 11f (3-chlorophenoxy) were tested in vivo for effects on steady-state concentrations of circulating uridine in mice and rats. Both compounds were substantially more efficacious than BAU (5-benzylacyclouridine) both in vitro and in vivo.

  DOI：

  10.1021/jm960688j

文献信息

• US3939084A
  申请人：——

  公开号：US3939084A

  公开（公告）日：1976-02-17
• CN114426558
  申请人：——

  公开号：——

  公开（公告）日：——