1-Pentyl-2-(trifluoromethyl)benzene | 1197344-21-0

• 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-Pentyl-2-(trifluoromethyl)benzene
• CAS: 1197344-21-0
• 化学式: C₁₂H₁₅F₃
• 分子量: 216.246
• InChiKey: WWUOBMOQFGANGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Pentyl-2-(trifluoromethyl)benzene 、 三甲基铝 以 正己烷 、 1,2-二氯乙烷 为溶剂， 以17%的产率得到pentyl-α-methylstyrene
  参考文献：
  名称：

  Non-catalytic conversion of C–F bonds of benzotrifluorides to C–C bonds using organoaluminium reagents

  摘要：

  开发了一种简易方法，不使用催化剂，通过铝试剂将苯三氟化物的C-F键转化为C-C键。

  DOI：

  10.1039/b915620h

文献信息

• COMPOUND AND COLORED RESIN COMPOSITION
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20210002487A1

  公开（公告）日：2021-01-07

  An object of the present invention is to provide a novel squarylium dye that can achieve an equivalent chromaticity value of even a colored resin composition having a low content of the squarylium dye as compared with a colored resin composition comprising a conventional squarylium dye. The present invention provides a compound represented by the formula (I) wherein R 4 to R 4 each independently represent a hydrogen atom or the like; R 5 to R 8 each independently represent a hydrogen atom or the like; R 9 and R 10 each independently represent a monovalent saturated hydrocarbon group having 1 to 20 carbon atoms or the like; R 11 and R 12 each independently represent a halogen atom or an alkyl halide group having 1 to 6 carbon atoms; and m1 and m2 each independently represent an integer of 1 to 5.

  本发明的一个目的是提供一种新型的方苯基染料，即使与含有传统方苯基染料的着色树脂组合相比，也可以实现具有低含量方苯基染料的着色树脂组合的等效色度值。本发明提供了一个由式（I）表示的化合物，其中R4到R4各自独立地表示氢原子或类似物；R5到R8各自独立地表示氢原子或类似物；R9和R10各自独立地表示具有1到20个碳原子的一价饱和碳氢基团或类似物；R11和R12各自独立地表示卤素原子或具有1到6个碳原子的烷基卤素基团；m1和m2各自独立地表示1到5的整数。
• SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1847533A1

  公开（公告）日：2007-10-24

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH2 and the like; RO1 to RO4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents -CH(OH)- group and the like; and W represent -U1-(RW1)(RW2)-U2-U3 group (U1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; RW1 and RW2 represent hydrogen atom and the like; U2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  通式 (I) 所代表的化合物或其盐： [T 代表氧原子等；V 代表 CH2 等；RO1 至 RO4 代表氢原子等；A 代表具有 2 至 8 个碳原子的直链烯基或直链烯基等；D 代表羧基等；X 代表乙烯基、三亚甲基等；E 代表-CH(OH)- 基等；W 代表-U1-(RW1)(RW2)-U2-U3 基（U1 代表单键、具有 1 至 4 个碳原子的亚烷基等）；RW1 和 RW2 代表氢原子等；U2 代表单键、具有 1 至 4 个碳原子的亚烷基等；U3 代表具有 1 至 8 个碳原子的烷基等），或碳环或杂环化合物的残基]，可用作有效预防和/或治疗骨质疏松症和骨折等骨骼疾病、青光眼、溃疡性结肠炎等疾病的药物的活性成分。
• Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10597391B2

  公开（公告）日：2020-03-24

  The present invention provides compounds of Formula I, Pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR-mediated or TGR5-mediated diseases or conditions.

  本发明提供了式 I 的化合物、 其药学上可接受的盐、包含这些化合物的药物组合物以及使用这些化合物预防或治疗 FXR 介导或 TGR5 介导的疾病或病症的方法。
• UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20180141941A1

  公开（公告）日：2018-05-24

  The present invention provides compounds of Formula I, Pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR-mediated or TGR5-mediated diseases or conditions.