1-Bromo-3-(4-methoxyphenoxy)benzene | 101992-65-8

• 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: 1-Bromo-3-(4-methoxyphenoxy)benzene
• CAS: 101992-65-8
• 化学式: C₁₃H₁₁BrO₂
• 分子量: 279.133
• InChiKey: OWRKIPBYEZLFMU-UHFFFAOYSA-N

物化性质

• 熔点：
  51 °C(Solv: ethanol (64-17-5))
• 沸点：
  186-189 °C(Press: 15 Torr)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Bromo-3-(4-methoxyphenoxy)benzene 在 platinum(IV) oxide palladium diacetate 、 potassium tert-butylate 、 氢气 、 溶剂黄146 、 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 40.0h， 生成 5-[[3-(4-methoxyphenoxy)phenyl]methyl]-1H-pyrimidine-2,4-dione
  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：

  间溴氟苯 、 4-甲氧基苯酚 在 sodium methylate 作用下， 生成 1-Bromo-3-(4-methoxyphenoxy)benzene
  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

• DO-CAO-THANG;NGUYEN-HOANG-NAM;HOELLINGER, H.;PICHAT, L., J. LABELLED COMPOUNDS AND RADIOPHARM., 1985, 22, N 8, 755-760
  作者：DO-CAO-THANG、NGUYEN-HOANG-NAM、HOELLINGER, H.、PICHAT, L.

  DOI：——

  日期：——
• BOEHM, MARCUS F.;PRESTWICH, GLONN D., J. LABELL. COMPOUNDS AND RADIOPHARM., 25,(1988) N 9, 1007-1015
  作者：BOEHM, MARCUS F.、PRESTWICH, GLONN D.

  DOI：——

  日期：——
• [EN] NEMATOCIDE N- CYCLOPROPYL - SULFONYLAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE N-CYCLOPROPYLSULFONYLAMIDE NÉMATOCIDES
  申请人：BAYER IP GMBH

  公开号：WO2013010758A1

  公开（公告）日：2013-01-24

  The present invention relates to the use of N-cyclopropyl-sulfonylamide derivatives of formula (I), wherein the substituents are cyclic groups,as nematicides, particularly in the form of compositions, and methods for the control of nematodes.