1-bromo-3-[3-(trifluoromethyl)phenoxy]benzene | 126476-58-2

• 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-[3-(trifluoromethyl)phenoxy]benzene
• 英文别名: 3-(3-trifluoromethylphenoxy) bromobenzene；m-(m-bromophenoxy)benzotrifluoride；3-(3-Trifluoromethyl phenoxy)bromobenzene
• CAS: 126476-58-2
• 化学式: C₁₃H₈BrF₃O
• 分子量: 317.105
• InChiKey: ZNJYZYGXIKQFSB-UHFFFAOYSA-N

物化性质

• 沸点：
  306.9±42.0 °C(Predicted)
• 密度：
  1.512±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-bromo-3-[3-(trifluoromethyl)phenoxy]benzene 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 2-[[2,4-dioxo-5-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]pyrimidin-1-yl]methoxy]ethyl Acetate
  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 、 间三氟甲基苯酚 在 sodium methylate 作用下， 生成 1-bromo-3-[3-(trifluoromethyl)phenoxy]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

• [EN] TEAD INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TEAD ET LEURS UTILISATIONS
  申请人：IKENA ONCOLOGY INC

  公开号：WO2020243423A1

  公开（公告）日：2020-12-03

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• Novel aryl ether sulfones
  申请人：The Dow Chemical Company

  公开号：US05066409A1

  公开（公告）日：1991-11-19

  Disclosed is an aryl ether sulfone of the following formula: ##STR1## wherein R.sup.1 is independently in each occurrence hydrogen, alkyl, alkoxy, aryl, aryloxy, polyhaloaryl, polyhaloaryloxy, polyhaloalkylaryl, or polyhaloalkylaryloxy, R.sup.2 is independently in each occurrence hydrogen, alkyl, alkoxy, aryl, aryloxy, polyhaloaryl, polyhaloaryloxy, polyhaloalkylaryl, or polyhaloalkylaryloxy, and n is a whole number from 1 to 5. Also disclosed is a lubricant composition which comprises a lubricating fluid and an aryl ether sulfone as shown above, wherein the aryl ether sulfone is present in an amount sufficient to increase the lubricity of the lubricating fluid component.

  公开了以下结构式的芳基醚砜：##STR1##其中R.sup.1在每次出现时独立地是氢、烷基、烷氧基、芳基、芳氧基、多卤芳基、多卤芳氧基、多卤烷基芳基或多卤烷基芳氧基；R.sup.2在每次出现时独立地是氢、烷基、烷氧基、芳基、芳氧基、多卤芳基、多卤芳氧基、多卤烷基芳基或多卤烷基芳氧基；n为1至5的整数。还公开了一种润滑剂组合物，其包括润滑流体和上述芳基醚砜，其中芳基醚砜的存在量足以提高润滑流体成分的润滑性。
• Tead inhibitors and uses thereof
  申请人：Ikena Oncology, Inc.

  公开号：US11274082B2

  公开（公告）日：2022-03-15

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• TEAD INHIBITORS AND USES THEREOF
  申请人：Ikena Oncology, Inc.

  公开号：EP3976192A1

  公开（公告）日：2022-04-06
• US4870213A
  申请人：——

  公开号：US4870213A

  公开（公告）日：1989-09-26