4-((4-(trifluoromethyl)phenyl)ethynyl)phenol | 40474-00-8

• 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-((4-(trifluoromethyl)phenyl)ethynyl)phenol
• 英文别名: 4-hydroxy-4"-(trifluoromethyl)tolan；4-hydroxy-4'-trifluoromethyltolan；4-Trifluormethyl-4'-hydroxy-tolan；Phenol, 4-[[4-(trifluoromethyl)phenyl]ethynyl]-；4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenol
• CAS: 40474-00-8
• 化学式: C₁₅H₉F₃O
• 分子量: 262.231
• InChiKey: SUAYPOJNKOEGHR-UHFFFAOYSA-N

物化性质

• 沸点：
  357.4±42.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-((4-(trifluoromethyl)phenyl)ethynyl)phenol 在 [(IPr*)Au(NCMe)]SbF₆ 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以70%的产率得到4,4'-(7-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)naphthalene-1,3-diyl)diphenol
  参考文献：
  名称：

  推挽式二芳基炔烃的分子间去对称化金催化的Yne-Yne反应

  摘要：

  推挽式二芳基炔烃在阳离子金催化剂存在下被二聚。所施加的起始材料的极化结构能够在分子间反应中生成高反应性的乙烯基阳离子中间体。然后，通过电子贫乏的芳基单元的亲核攻击来捕集乙烯基阳离子，从而一步就可以选择性地形成高度取代的萘，并且可以实现完全的原子经济。

  DOI：

  10.1002/chem.201800360
• 作为产物：
  描述：

  (E)-1-methoxy-4-(4-(trifluoromethyl)styryl)benzene 在 氢氧化钾 、 lutidine 、 溴 、 lithium iodide 作用下， 生成 4-((4-(trifluoromethyl)phenyl)ethynyl)phenol
  参考文献：
  名称：

  Fialkov,Yu.A. et al., Journal of Organic Chemistry USSR (English Translation), 1973, vol. 9, p. 137 - 142

  摘要：

  DOI：

文献信息

• Methods for treating subjects infected with a herpes virus or neisseria gonorrheae
  申请人：——

  公开号：US20020103262A1

  公开（公告）日：2002-08-01

  The present invention provides a method of inhibiting the formation of infectious herpes virus particles, particularly infectious herpes simplex virus (HSV) particles, in a host cell. The method involves administering an effective amount of a hydroxylated tolan, particularly a polyhydroxylated tolan, to a herpes virus infected host cell. The present invention also provides a method of treating a herpes virus infection, particularly an HSV infection. The method comprises administering a topical composition comprising a therapeutically effective amount of a hydroxylated tolan to a herpes virus-infected site. The present invention also relates to a topical composition for treating a herpes virus infection selected from the group consisting of an HSV infection, a cytomegalovirus infection, and a varicella zoster virus infection. The present invention also provides a method of treating a subject infected with Neisseria gonorrhea.

  本发明提供了一种抑制感染性疱疹病毒颗粒形成的方法，特别是在宿主细胞中抑制感染性单纯疱疹病毒（HSV）颗粒的方法。该方法涉及向感染疱疹病毒的宿主细胞中投入有效量的羟基化托兰，特别是多羟基化托兰。本发明还提供了一种治疗疱疹病毒感染，特别是HSV感染的方法。该方法包括向疱疹病毒感染部位投入含有治疗有效量羟基化托兰的局部组合物。本发明还涉及一种用于治疗疱疹病毒感染的局部组合物，所述感染可以是HSV感染、巨细胞病毒感染或水痘带状疱疹病毒感染。本发明还提供了一种治疗被淋病奈瑟氏菌感染的受试者的方法。
• Photoresponsive Heterocyclic Azo Compound, Method for Producing the Same, and Optical Information Recording Medium
  申请人：Fukuda Takashi

  公开号：US20070242322A1

  公开（公告）日：2007-10-18

  There are provided a novel optical information recording material or medium excellent in various holographic optical information recording properties such as sensitivity, response speed, long-term storage stability, and repeatability, and a substance therefor. A photoresponsive heterocyclic azo compound contains an oligomer or polymer having a photoresponsive moiety in at least one of the main chain and side chain, and the photoresponsive moiety is a building block represented by the following formula (1): wherein HC 1 and HC 2 each represent a ring structure, at least one of them being a heterocyclic structure containing 1 or more heteroatom in the ring, R 1 and R 2 each represent a hydrogen atom or a substituent connected to the ring structure and may be the same or different ones, s and t each represent the number thereof, and X 1 and X 2 each represent a terminal group or a linking group, at least one of them being a linking group connected to the main chain of the oligomer or polymer and the terminal group being a hydrogen atom or a substituent.

  提供了一种新型的光学信息记录材料或介质，具有各种全息光学信息记录性能，如灵敏度、响应速度、长期存储稳定性和重复性，以及一种物质。一种光响应杂环偶氮化合物包含在主链和侧链中至少有一个具有光响应基团的寡聚物或聚合物，其中光响应基团是由以下公式（1）表示的构建块：其中HC1和HC2各代表一个环结构，其中至少一个是含有1个或多个杂原子的杂环结构，R1和R2各代表氢原子或连接到环结构的取代基，可以是相同或不同的，s和t各代表其数量，X1和X2各代表端基或连接基团，其中至少一个是连接到寡聚物或聚合物的主链的连接基团，而端基是氢原子或取代基。
• Methods for treating subjects infected with herpes virus or Neisseria gonorrheae
  申请人：——

  公开号：US20030203974A1

  公开（公告）日：2003-10-30

  The present invention provides a method of inhibiting the formation of infectious herpes virus particles, particularly infectious herpes simplex virus (HSV) particles, in a host cell. The method involves administering an effective amount of a hydroxylated tolan, particularly a polyhydroxylated tolan, to a herpes virus infected host cell. The present invention also provides a method of treating a herpes virus infection, particularly an HSV infection. The method comprises administering a topical composition comprising a therapeutically effective amount of a hydroxylated tolan to a herpes virus-infected site. The present invention also relates to a topical composition for treating a herpes virus infection selected from the group consisting of an HSV infection, a cytomegalovirus infection, and a varicella zoster virus infection. The present invention also provides a method of treating a subject infected with Neisseria gonorrhea.

  本发明提供了一种抑制宿主细胞内感染性疱疹病毒颗粒形成的方法，特别是抑制感染性单纯疱疹病毒（HSV）颗粒形成的方法。该方法涉及向疱疹病毒感染的宿主细胞中投入有效量的羟基化甲苯，特别是多羟基化甲苯。本发明还提供了一种治疗疱疹病毒感染，特别是HSV感染的方法。该方法包括向疱疹病毒感染部位投入含有治疗有效量的羟基化甲苯的局部组合物。本发明还涉及一种用于治疗疱疹病毒感染的局部组合物，所述疱疹病毒感染包括HSV感染、巨细胞病毒感染和带状疱疹病毒感染。本发明还提供了一种治疗感染淋病奈瑟菌的受试者的方法。
• ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER
  申请人：Tsai Chun-che

  公开号：US20110160301A1

  公开（公告）日：2011-06-30

  The combination of compounds of the hydroxytolan family with ascorbate plus naphthoquinone (Vitamin K3; VK3), or a quinone or semiquinone analogue of VK3, kill tumor cells, inhibit tumor growth and development, and treat cancer in subjects in need thereof.

  羟基甲苯系列化合物与抗坏血酸加萘醌（维生素K3; VK3）或VK3的醌或半醌类似物的组合，可杀死肿瘤细胞，抑制肿瘤生长和发展，并治疗需要的患者的癌症。
• HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER
  申请人：Tsai Chun-Che

  公开号：US20110130468A1

  公开（公告）日：2011-06-02

  Compounds of the hydroxytolan family kill tumor cells, inhibit tumor growth and development, and are thus useful in method for treating a tumor or cancer in subjects in need thereof. These compounds are also active in preventing or treating a variety of skin diseases and conditions. The most preferred hydroxytolan compounds are 4,4′-dihydroxytolan. (KST-201), 4 hydroxy 4′ trifluoromethyltolan or 4′ hydroxy 4 trifluoromethyltolan (KST-213), 3,4′,5-trihydroxytolan or 3′,4,5′-trihydroxytolan (KST-301) and 3,3′,5,5′-tetrahydroxytolan (KST-401). The compounds and methods of using them alone and in combination with ascorbate and certain cyclic compounds to inhibit the development, growth or metastasis of tumor/cancer or preneoplastic cells, or to prevent or treat skin disorders in a subject are disclosed.

  羟基托兰家族的化合物可以杀死肿瘤细胞，抑制肿瘤的生长和发展，因此在治疗需要此类方法的患者的肿瘤或癌症中非常有用。这些化合物也可以预防或治疗各种皮肤疾病和状况。最受欢迎的羟基托兰化合物是4,4'-二羟基托兰（KST-201），4-羟基-4'-三氟甲基托兰或4'-羟基-4-三氟甲基托兰（KST-213），3,4'，5-三羟基托兰或3'，4，5'-三羟基托兰（KST-301）和3,3'，5,5'-四羟基托兰（KST-401）。本文揭示了使用这些化合物及其与抗坏血酸和某些环状化合物的组合物单独或联合使用的方法，以抑制肿瘤/癌症或癌前细胞的发展，生长或转移，或预防或治疗主体的皮肤疾病。