4-fluoro-3-trifluoromethylbenzoic acid benzyl ester | 359820-21-6

• 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: 4-fluoro-3-trifluoromethylbenzoic acid benzyl ester
• 英文别名: Benzyl 4-fluoro-3-(trifluoromethyl)benzoate
• CAS: 359820-21-6
• 化学式: C₁₅H₁₀F₄O₂
• 分子量: 298.237
• InChiKey: QNFLUQDLGGWVNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-fluoro-3-trifluoromethylbenzoic acid benzyl ester 、 苯甲醇 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.83h， 生成 4-benzyloxy-3-trifluoromethylbenzoic acid benzyl ester
  参考文献：
  名称：

  AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP1961734B1
• 作为产物：
  描述：

  4-氟-3-(三氟甲基)苯甲酸 、 溴甲苯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.33h， 生成 4-fluoro-3-trifluoromethylbenzoic acid benzyl ester
  参考文献：
  名称：

  AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF

  摘要：

  公开号：

  EP2168944B1

文献信息

• Bis-o-aminophenols and o-aminophenolcarboxylic acids and process for preparing the same
  申请人：——

  公开号：US20020010370A1

  公开（公告）日：2002-01-24

  Bis-o-aminophenols and o-aminophenolcarboxylic acids have the following structures: 1 A 1 to A 7 are, independently of each other, H, F, CH 3 , CF 3 , OCH 3 or OCF 3 . T is an aromatic or heterocyclic residue. A method for preparing bis-o-aminophenols and o-aminophenolcarboxylic acids is also provided.

  Bis-o-aminophenols和o-aminophenolcarboxylic acids具有以下结构：1A1到A7是H，F，CH3，CF3，OCH3或OCF3，彼此独立。 T是芳香族或杂环残基。还提供了制备Bis-o-aminophenols和o-aminophenolcarboxylic acids的方法。
• Amine compound and pharmaceutical use thereof
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08129361B2

  公开（公告）日：2012-03-06

  Provided is a novel amine compound represented by the following formula (I) having a superior peripheral blood lymphocyte decreasing action and superior in the immunosuppressive action, rejection suppressive action and the like, which shows decreased side effects of, for example, bradycardia and the like, or a pharmaceutically acceptable acid addition salt thereof, or a hydrate thereof, or a solvate thereof. wherein each symbol is as defined in the specification.

  提供的是一种新型胺类化合物，其化学式如下（I），具有卓越的外周血淋巴细胞降低作用和免疫抑制作用，抗排异作用等方面表现出降低副作用的优点，例如心动过缓等，或其药学上可接受的酸盐，或其水合物，或其溶剂化物。 其中，每个符号如规范中所定义。
• Amine compound and use thereof for medical purposes
  申请人：Kiuchi Masatoshi

  公开号：US08809304B2

  公开（公告）日：2014-08-19

  A novel amine compound represented by the following formula (I), which is superior in immunosuppressive action, rejection suppressive action and the like, and shows reduced side effects such as bradycardia and the like, or a pharmaceutically acceptable acid addition salt thereof, or hydrates thereof, or solvate, as well as a pharmaceutical composition containing this compound and a pharmaceutically acceptable carrier. wherein R is a hydrogen atom or P(═O)(OH)2, X is an oxygen atom or a sulfur atom, Y is CH2CH2 or CH═CH, R1 is cyano or alkyl having a carbon number of 1 to 4 and substituted by a halogen atom(s), R2 is alkyl having a carbon number of 1 to 4 and optionally substituted by a hydroxyl group(s) or a halogen atom(s), R3 and R4 may be the same or different and each is a hydrogen atom or alkyl having a carbon number of 1 to 4, and n is 5-8.

  以下为化学式（I）所代表的新型胺类化合物，其具有优异的免疫抑制作用、排斥抑制作用等，并显示出降低的副作用，如心动过缓等，或其药学上可接受的酸加成盐、水合物或溶剂化物，以及含有该化合物和药学上可接受的载体的制药组合物。其中，R为氢原子或P（═O）（OH）2，X为氧原子或硫原子，Y为CH2CH2或CH═CH，R1为氰基或碳数为1至4且被卤原子取代的烷基，R2为碳数为1至4的烷基，可选地被羟基或卤原子取代，R3和R4可以相同也可以不同，每个都是氢原子或碳数为1至4的烷基，n为5-8。
• Amine Compound and Use Thereof for Medical Purposes
  申请人：Kiuchi Masatoshi

  公开号：US20090137530A1

  公开（公告）日：2009-05-28

  A novel amine compound represented by the following formula (I), which is superior in immunosuppressive action, rejection suppressive action and the like, and shows reduced side effects such as bradycardia and the like, or a pharmaceutically acceptable acid addition salt thereof, or hydrates thereof, or solvate, as well as a pharmaceutical composition containing this compound and a pharmaceutically acceptable carrier. wherein R is a hydrogen atom or P(═O)(OH) 2 , X is an oxygen atom or a sulfur atom, Y is CH 2 CH 2 or CH═CH, R 1 is cyano or alkyl having a carbon number of 1 to 4 and substituted by a halogen atom(s), R 2 is alkyl having a carbon number of 1 to 4 and optionally substituted by a hydroxyl group(s) or a halogen atom(s), R 3 and R 4 may be the same or different and each is a hydrogen atom or alkyl having a carbon number of 1 to 4, and n is 5-8.

  以下是该文的中文翻译： 一种新型胺类化合物，其化学式为（I），具有优异的免疫抑制作用、排斥抑制作用等，并显示出减少副作用，如心动过缓等。该化合物的药学可接受的酸盐、水合物或溶剂化物，以及包含该化合物和药学可接受的载体的制药组合物。其中，R为氢原子或P（═O）（OH）2，X为氧原子或硫原子，Y为CH2CH2或CH═CH，R1为氰基或碳数为1至4的烷基，并被卤素原子取代，R2为碳数为1至4的烷基，可选地被羟基或卤素原子取代，R3和R4可以相同也可以不同，每个为氢原子或碳数为1至4的烷基，n为5-8。
• Polybenzoxazole precursors, photoresist solution, polybenzoxazole, and process for preparing a polybenzoxazole precursor
  申请人：——

  公开号：US20020086968A1

  公开（公告）日：2002-07-04

  There are disclosed polybenzoxazole precursors which can be processed by centrifugal techniques, which can be cyclized to polybenzoxazoles on substrates without difficulty, and which after cyclization to polybenzoxazoles exhibit a high temperature stability. In particular, these precursors and the polybenzoxazoles prepared from them possess high resistance against the diffusion of metals.

  已公开的聚苯并恶唑前体可通过离心技术进行加工，可在基底上顺利环化成聚苯并恶唑，环化成聚苯并恶唑后具有较高的温度稳定性。特别是，这些前体和由它们制备的聚苯并恶唑具有很强的抗金属扩散能力。