1-(4-bromophenoxy)-3-methylbenzene | 67532-40-5

• 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-(4-bromophenoxy)-3-methylbenzene
• 英文别名: 1-(4-Bromophenoxy)-3-methyl-benzene；1-bromo-4-(3-methylphenoxy)benzene
• CAS: 67532-40-5
• 化学式: C₁₃H₁₁BrO
• 分子量: 263.134
• InChiKey: VGVLTYOOUFGXQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Verfahren zur Herstellung von Diphenylether-carbonsäuren
  申请人：BAYER AG

  公开号：EP0008735A1

  公开（公告）日：1980-03-19

  Die Erfindung betrifft ein Verfahren zur Herstellung von Diphenylether-carbonsäuren durch Oxidation der entsprechenden Methyldiphenylether im Temperaturbereich von 50 bis 350°C und einem Sauerstoffpartialdruck von 0,1 bis 100 atm, bei dem man methylierte Diphenylether mit einer wäßrigen Alkalidichromatlösung im Temperaturbereich von 150 bis 350°C und bei Drucken bis zu 100 atm oxidiert.

  本发明涉及一种通过在 50 至 350°C 的温度范围和 0.1 至 100 atm 的氧分压下氧化相应的甲基二苯醚来制备二苯醚羧酸的工艺，其中甲基化二苯醚在 150 至 350°C 的温度范围和高达 100 atm 的压力下用碱金属重铬酸盐水溶液氧化。
• PROCESS FOR PRODUCING $g(a)-HYDROXYIMINOPHENYLACETONITRILE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0658542A1

  公开（公告）日：1995-06-21

  A process for producing an α-hydroxyiminophenylacetonitrile represented by general formula [II], (wherein R¹, R², R³ and Z are each as defined in the specification) by reacting a crude nitrile containing a phenylacetonitrile represented by general formula [I], (wherein R¹, R², R³ and Z are each as defined in the specification) with an alkyl nitrite in the presence of a base, extracting the reaction mixture with water, and neutralizing the separated water layer with an acid. This process enables target α-hydroxyiminophenylacetonitriles to be readily produced in a highly pure form in high yield by extracting the reaction mass with water and neutralizing the separated water layer with an acid.

  一种生产通式[II]代表的α-羟基亚氨基苯乙腈（其中R¹、R²、R³和Z均如说明书中所定义）的工艺，其方法是在碱存在下，使含有通式[I]代表的苯乙腈（其中R¹、R²、R³和Z均如说明书中所定义）的粗腈与亚硝酸烷基酯反应，用水萃取反应混合物，并用酸中和分离出的水层。该工艺可通过用水萃取反应物并用酸中和分离出的水层，以高纯度、高收率的形式生产目标α-羟基亚氨基苯乙腈。
• PROCESS FOR PRODUCING $g(a)-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0658543A1

  公开（公告）日：1995-06-21

  A process for producing an α-alkoxyiminophenylacetonitrile represented by general formula [III], (wherein R¹, R², R³ and Y are each as defined in the specification) by reacting an alkali metal salt of an α-hydroxyiminophenylacetonitrile, represented by general formula [I], (wherein R¹, R², Y and A are each as defined in the specification) with a dialkyl sulfate represented by the general formula [II]: (R³)₂SO₄, (wherein R³ is as defined in the specification) in the presence of a phase transfer catalyst in a solvent mixture composed of a hydrocarbon solvent and water. It is possible by using the above catalyst and solvent mixture to inhibit the formation of a nitrone derivative as a by-product to thereby produce a highly pure alkoxyimino compound in a high yield.

  一种生产通式[III]代表的α-烷氧基亚氨基苯乙腈(其中R¹、R²、R³和Y均如说明书中所定义)的工艺，其方法是将通式[I]代表的α-羟基亚氨基苯乙腈的碱金属盐(其中R¹、R²、Y和A均如说明书中所定义)与通式[II]代表的二烷基硫酸盐反应：(R³)₂SO₄，（其中 R³ 如说明书中所定义）在相转移催化剂存在下，在由烃溶剂和水组成的混合溶剂中进行。通过使用上述催化剂和混合溶剂，可以抑制作为副产物的腈酮衍生物的形成，从而高产率地生产出高纯度的烷氧基亚氨基化合物。
• 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same
  申请人：Daewoong Pharmaceutical Co., Ltd.

  公开号：US10399988B2

  公开（公告）日：2019-09-03

  The present invention relates to 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical compositions containing the same, wherein the 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical compositions containing them not only have BTK inhibitory activity but also has remarkably high selectivity for the inhibitory activity of BTK vs. ITK, and thereby can be usefully used for the prevention or treatment of autoimmune diseases or cancers as BTK inhibitors.

  本发明涉及4-氨基吡唑并[3,4-d]嘧啶基氮杂双环衍生物和含有这些衍生物的药物组合物，其中4-氨基吡唑并[3,4-d]嘧啶基氮杂双环衍生物和含有这些衍生物的药物组合物不仅具有BTK抑制活性，而且对BTK与ITK的抑制活性具有显著的高选择性，因此可作为BTK抑制剂有效地用于预防或治疗自身免疫性疾病或癌症。
• PROCESS FOR PRODUCING ALPHA-HYDROXYIMINOPHENYLACETONITRILE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0658542B1

  公开（公告）日：1998-01-14