4-(3,5-difluorophenyl)phenol | 656304-67-5

• 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: 4-(3,5-difluorophenyl)phenol
• CAS: 656304-67-5
• 化学式: C₁₂H₈F₂O
• 分子量: 206.192
• InChiKey: DZFYHZOKUQKDFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3,5-difluorophenyl)phenol 在 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 6-[4-(3,5-Difluorophenyl)phenoxy]hexyl prop-2-enoate
  参考文献：
  名称：

  重合性化合物及び光学異方体

  摘要：

  The problem that the present invention aims to solve is to provide a polymerizable compound that, when added to a polymerizable composition, does not cause crystallization or other issues, and has high storage stability. The goal is to provide a polymerizable composition with the polymerizable compound that, when polymerized to obtain a polymer, forms a uniform homeotropic alignment. Furthermore, the invention aims to provide a polymerizable composition that, when polymerized, results in a polymer with low haze and minimal unevenness, as well as optical anisotropic materials using the polymer. The present invention provides a compound represented by the general formula (I) [Chemical 1], a composition containing the compound, a polymer obtained by polymerizing the composition, and optical anisotropic materials using the polymer. [No drawings]

  公开号：

  JP2016193869A
• 作为产物：
  描述：

  4-碘乙酰基苯酚 在 四(三苯基膦)钯 、 sodium 、 sodium carbonate 作用下， 以 甲醇 、 乙醇 、 甲苯 为溶剂， 反应 32.0h， 生成 4-(3,5-difluorophenyl)phenol
  参考文献：
  名称：

  Diflunisal类似物稳定运甲状腺素蛋白的天然状态。有效抑制淀粉样蛋白生成。

  摘要：

  合成了FDA批准的非甾体抗炎药diflunisal的类似物，并将其评估为转甲状腺素蛋白（TTR）聚集（包括淀粉样蛋白原纤维形成）的抑制剂。对于26种化合物观察到高抑制活性。其中，八种在人血浆中对TTR表现出优异的结合选择性（结合化学计量比> 0.50，每个TTR四聚体理论上最多结合有2.0种抑制剂）。生物物理研究表明，这八种抑制剂可在168小时的时间内显着减慢四聚体的解离（淀粉样蛋白生成的速率决定步骤）。这似乎是通过基态稳定化来实现的，这提高了四聚体解离的动力学势垒。这八种抑制剂对WT TTR的动力学稳定作用进一步得到证实，淀粉样蛋白原纤维形成的速率随抑制剂浓度（pH 4.4）的增加而降低。TTR.18（2）和TTR.20（2）配合物的X射线共晶体结构揭示了18和20在TTR结合位点以相反的方向结合。将氟从18的间位移至20的邻位可逆转结合方向，使20的亲水性芳环在外部结合袋中取向，其中羧

  DOI：

  10.1021/jm030347n

文献信息

• An efficient protocol for the palladium-catalysed Suzuki–Miyaura cross-coupling
  作者：Alexander N. Marziale、Dominik Jantke、Stefan H. Faul、Thomas Reiner、Eberhardt Herdtweck、Jörg Eppinger

  DOI：10.1039/c0gc00522c

  日期：——

  The palladacyclic catalyst precursor received by ortho-palladation of ([1,1′-biphenyl]-2-yloxy)diisopropyl-phosphine represents a highly active system for Suzuki–Miyaura cross-coupling reactions when used in neat water. An efficient, broadly applicable and sustainable aqueous protocol was developed using 2.5 eq. of Na2CO3 as base, allowing the reaction to be performed under air and at ambient temperature with Pd loadings of 0.04 mol%. Coupling products are obtained in high yields and excellent purity by simple filtration with no organic solvents needed throughout the whole reaction. A broad variety of functional groups are tolerated and a large number of substrates can be applied with this protocol. The crystal structure of the palladacyclic catalyst precursor is presented as well as investigations targeting the nature of catalyst activation and the active catalytic species.

  通过使用无水的[1,1'-联苯]-2-基氧二异丙基膦进行邻位钯化得到的钯环状催化剂前体，在纯水体系中用于铃木-宫浦交叉偶联反应时表现出了高度活性。通过使用2.5当量的Na2CO3作为碱，我们开发了一种高效、广泛适用且可持续的水相方法，使得反应能在空气中、常温下进行，且钯的负载量仅为0.04摩尔百分比。通过简单的过滤即可获得高产率且纯度极佳的偶联产物，整个反应过程中无需任何有机溶剂。该方法对多种官能团具有耐受性，并且适用于大量不同底物。此外，本文还展示了钯环状催化剂前体的晶体结构，并探讨了催化剂活化的本质以及活性催化物种的性质。
• [EN] SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF<br/>[FR] PARA-BIPHÉNYLOXYMÉTHYL-DIHYDRO-OXAZOLOPYRIMIDINONES SUBSTITUÉES, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：SANOFI AVENTIS

  公开号：WO2011034828A1

  公开（公告）日：2011-03-24

  The present invention relates to a series of substituted para-biphenyloxymethyl dihydro oxazolopyrimidinones of formula (I) as defined herein. This invention also relates to methods of making these compounds including novel intermediates. The compounds of this invention are modulators of metabotropic glutamate receptors (mGluR), particularly, mGluR2 receptor. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic neurodegenerative conditions, psychoses, cognition deficit disorders, convulsions, anxiety, depression, migraine, pain, sleep disorders and emesis.

  本发明涉及一系列以本文所定义的式(I)的取代对联苯氧甲基二氢噁唑吡咯嘧啶酮。本发明还涉及制备这些化合物的方法，包括新颖的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR），特别是mGluR2受体的调节剂。因此，本发明的化合物在药物代理方面是有用的，特别是在治疗和/或预防各种中枢神经系统疾病（CNS），包括但不限于急性和慢性神经退行性疾病、精神病、认知缺陷症、癫痫、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐等方面。
• Design, Synthesis, and Anti-Proliferative Evaluation of [1,1′-biphenyl]-4-ols as Inhibitor of HUVEC Migration and Tube Formation
  作者：Yan Ran、Liang Ma、Xuewei Wang、Jinying Chen、Guangcheng Wang、Aihua Peng、Lijuan Chen

  DOI：10.3390/molecules17078091

  日期：——

  Allylated biphenol neolignans contain a variety of chemopreventive entities that have been used as anti-tumor drug leads. Herein, 37 allylated biphenols were evaluated for anti-proliferative activity by the MTT assay and inhibitory effect on the migration and tube formation of HUVECs featuring anti-angiogenic properties. 3-(2-Methylbut-3-en-2-yl)-3′,5′-bis(trifluoromethyl)-[1,1′-biphenyl]-4-ol (5c) exerted an inhibitory effect on HUVECs compared to honokiol (IC50 = 47.0 vs. 52.6 μM) and showed significant blocking effects on the proliferation of C26, Hela, K562, A549, and HepG2 (IC50 = 15.0, 25.0, 21.2, 29.5, and 13.0 μM, respectively), superior to those of honokiol (IC50 = 65.1, 62.0, 42.0, 75.0, and 55.4 μM, respectively). Importantly, compound 5c inhibited the migration and capillary-like tube formation of HUVECs in vitro.

  烯丙基化联苯新木脂素包含多种化学预防实体，这些实体已被用作抗肿瘤药物的先导化合物。在此，我们评估了37种烯丙基化联苯对细胞增殖活性的抑制作用，以及它们对HUVEC迁移和管形成的抑制效应，这些效应具有抗血管生成特性。3-(2-甲基-3-丁烯-2-基)-3',5'-双(三氟甲基)-[1,1'-联苯]-4-醇（5c）对HUVEC的抑制作用强于细辛醇（IC50 = 47.0 vs. 52.6 μM），并且对C26、Hela、K562、A549和HepG2的增殖有显著阻断作用（IC50分别为15.0、25.0、21.2、29.5和13.0 μM），优于细辛醇的抑制作用（IC50分别为65.1、62.0、42.0、75.0和55.4 μM）。重要的是，化合物5c在体外抑制了HUVEC的迁移和类似毛细血管管的形成。
• Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof
  申请人：Shijiazhuang Chengzhi Yonghua Display Materials Co., Ltd.

  公开号：US09303208B2

  公开（公告）日：2016-04-05

  This invention relates to liquid crystal compounds of formula I containing cyclopentyl group and difluoromethyleneoxy linking group. Liquid crystal compounds of formula I have a large dielectric anisotropy, high clearing points, and a fast response speed, thereby having great significance to formulate a liquid crystal mixture.

  这项发明涉及具有环戊基和二氟甲氧基连接基的公式I的液晶化合物。公式I的液晶化合物具有较大的介电各向异性、高清晰点和快速响应速度，因此对配制液晶混合物具有重要意义。
• 시클로펜틸 및 디플루오로메틸렌옥시 연결기를 함유하는 액정 화합물, 그의 제조 방법 및 적용
  申请人：SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. 스자좡 청즈 용화 디스플레이 메테리얼 씨오., 엘티디.(520140044798)

  公开号：KR101530834B1

  公开（公告）日：2015-06-22

  본 발명은 시클로펜틸 및 디플루오로메틸렌옥시 연결기를 함유하는 액정 화합물, 그의 제조 방법 및 적용에 관한 것이다. 본 발명의 화합물은 하기 화학식 I로 나타낸다. 본 발명에서 제공된 화학식 I로 나타낸 화합물의 분자 구조에서, 시클로펜틸 말단기 및 디플루오로메틸렌옥시 연결기(-CF2O-)를 함유하는 액정 화합물은 유전 이방성이 클 뿐만 아니라, 보다 중요하게는 반응 속도가 빠르고 투명점이 높다. 액정 혼합물 블렌딩의 경우, 그러한 성능이 매우 중요하다. <화학식 I>

  本发明涉及含有环戊基和二氟亚乙基氧基连接体的液晶化合物、其制备方法及其应用。本发明的化合物如下式 I 所表示。在本发明提供的式 I 所代表化合物的分子结构中，含有环戊基端基和二氟亚甲基氧基连接基（-CF2O-）的液晶化合物具有较大的介电各向异性，更重要的是反应速度快，透明点高。对于液晶混合物的混合，这种性能非常重要。<方案一>.