m-ethyl-α,α,α-trifluoromethoxybenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: m-ethyl-α,α,α-trifluoromethoxybenzene
• 英文别名: Benzene, 1-ethyl-3-(trifluoromethoxy)-；1-ethyl-3-(trifluoromethoxy)benzene
• 化学式: C₉H₉F₃O
• 分子量: 190.165
• InChiKey: IBMCSFMDJXAVCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-乙酰哌啶 、 3-三氟甲氧基溴苯 在 三乙基硅烷 、 magnesium 、 三氟乙酸 作用下， 生成 m-ethyl-α,α,α-trifluoromethoxybenzene
  参考文献：
  名称：

  芳香替代。53. (α,α,α-三氟甲氧基)苯的亲电硝化、卤化、酰化、烷基化

  摘要：

  Etude detaillee de l'effet directeur du groupe trifluoromethoxy dans les reaction du titre

  DOI：

  10.1021/ja00246a030

文献信息

• 6-Membered heterocyclic compound and use thereof
  申请人：Shoda Motoshi

  公开号：US20070060590A1

  公开（公告）日：2007-03-15

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH 2 and the like; R O1 to R O4 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 —U 1 —(R W1 )(R W2 )—U 2 —U 3 group (U 1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; R W1 and R W2 represent hydrogen atom and the like; U 2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U 3 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.

  由通用公式(I)表示的化合物或其盐： [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个碳原子的线型亚烷基或线型亚烯基等；D代表羧基等；X代表亚乙基、亚丙基等；E代表—CH(OH)—基团等；W代表—U1—(RW1)(RW2)—U2—U3基团（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]，其可作为预防性和/或治疗性药物的有效成分，用于治疗骨骼疾病如骨质疏松症和骨折、青光眼、溃疡性结肠炎等。
• 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20170166552A1

  公开（公告）日：2017-06-15

  The present invention provides a 1,4-disubstituted imidazole derivative of formula (1′) wherein ring Q 1 is optionally-substituted C 6-10 aryl group, etc.; R 1 and R 2 are independently hydrogen atom, etc.; W 1 is optionally-substituted C 1-4 alkylene group; W 2 is —NR 3a C(O)— wherein R 3a is hydrogen atom or C 1-6 alkyl group, etc.; ring Q 2 is 5- to 10-membered heteroaryl group, etc.; W 3 is optionally-substituted C 1-4 alkylene group, etc.; n is 1, 2, 3, 4, or 5; R 4 is independently halogen atom, optionally-substituted C 1-6 alkyl group, etc.; R 5 is hydroxy group, etc.; and a pharmacologically acceptable salt thereof, which have a potent inhibitory effect on the sphere-forming capacity of cancer cells and are useful as an orally-available anti-tumor agent.

  本发明提供了一种公式（1'）的1,4-二取代咪唑衍生物，其中环Q1是可选取代的C6-10芳基等；R1和R2分别是氢原子等；W1是可选取代的C1-4烷基烯基；W2是—NR3aC(O)—，其中R3a是氢原子或C1-6烷基等；环Q2是5-到10-成员杂芳基等；W3是可选取代的C1-4烷基烯基等；n为1, 2, 3, 4或5；R4是独立的卤原子、可选取代的C1-6烷基等；R5是羟基等；以及其药理学上可接受的盐，对癌细胞的球形形成能力具有强大的抑制作用，并且作为口服抗肿瘤药剂是有用的。
• [EN] CARBONYL DERIVATIVES OF BETULIN<br/>[FR] DÉRIVÉS CARBONYLES DE BÉTULINE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2013020245A1

  公开（公告）日：2013-02-14

  Disclosed are a compound characterized by the following formula I or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising said compound or a pharmaceutically acceptable salt thereof, wherein R3, L, and A are as described in the application. Said compounds are useful for the treatment of HIV.

  揭示了一种由以下化学式I或其药学上可接受的盐所表征的化合物，以及包含所述化合物或其药学上可接受的盐的药物组合物，其中R3、L和A如申请中所述。所述化合物对治疗HIV有用。
• MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE
  申请人：Durand-Reville Thomas

  公开号：US20110021513A1

  公开（公告）日：2011-01-27

  The present invention relates to modulators of IRAK kinase and provides compositions comprising such modulators, as well as methods therewith for treating conditions or diseases mediated by or associated with IRAK kinase.

  本发明涉及IRAK激酶的调节剂，并提供包含这些调节剂的组合物，以及利用这些调节剂治疗由IRAK激酶介导或相关的疾病或病症的方法。
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。