4-羟基苯基-(4-溴-苯基)-甲酮 | 4369-50-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-羟基苯基-(4-溴-苯基)-甲酮
• 中文别名: (4-溴苯基)(4-羟基苯基)甲酮
• 英文名称: (4-bromophenyl)(4-hydroxyphenyl)methanone
• 英文别名: 4-bromo-4'-hydroxybenzophenone；4-Brom-4'-hydroxy-benzophenon；4-hydroxyphenyl-(4-bromo-phenyl)-methanone；(4-bromophenyl)-(4-hydroxyphenyl)methanone
• CAS: 4369-50-0
• 化学式: C₁₃H₉BrO₂
• 分子量: 277.117
• InChiKey: GCSYLFJQFPSOBR-UHFFFAOYSA-N

物化性质

• 熔点：
  192–193°C

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  2-8°C，干燥

反应信息

• 作为反应物：
  描述：

  4-羟基苯基-(4-溴-苯基)-甲酮 在 氢氧化钾 、 sodium hydroxide 、 四丁基溴化铵 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 126.0h， 生成 (4-bromophenyl)-[4-(6-cyclopropylaminohexyloxy)phenyl]methanone
  参考文献：
  名称：

  Synthesis and Structure−Activity Studies of Novel Orally Active Non-Terpenoic 2,3-Oxidosqualene Cyclase Inhibitors

  摘要：

  New orally active non-terpenoic inhibitors of human 2,3-oxidosqualene cyclase (hOSC) are reported. The starting point for the optimization process was a set of compounds derived from a fungicide project, which in addition to showing high affinity for OSC from Candida albicans showed also high affinity for human OSC. Common structural elements of these inhibitors are an amine residue and an electrophilic carbonyl C atom embedded in a benzophenone system, which are at a distance of about 10.7 Angstrom. Considering that the keto moiety is in a potentially labile position, modifications of the substitution pattern at the benzophenone as well as annelated heteroaryl systems were explored. Our approach combined testing of the compounds first for increased binding affinity and for increased stability in vitro. Most promising compounds were then evaluated for their efficacy in lowering plasma total cholesterol (TC) and plasma low-density lipoprotein cholesterol (LDL-C) in hyperlipidemic hamsters. In this respect, the most promising compounds are the benzophenone derivative 1.fumarate and the benzo[d]-isothiazol 24.fumarate, which lowered TC by 40% and 33%, respectively.

  DOI：

  10.1021/jm021120f
• 作为产物：
  描述：

  4-溴苯甲酰氯 在 aluminum (III) chloride 、 氢溴酸 作用下， 以 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 1.0h， 生成 4-羟基苯基-(4-溴-苯基)-甲酮
  参考文献：
  名称：

  连接的轮烷结构限制溶液中的局部分子运动以增强四苯基乙烯的荧光性质

  摘要：

  本文报道了一种使用荧光染料四苯基乙烯来提高荧光团在荧光量子产率和光稳定性等性能方面的性能的方法。连接的轮烷结构有效地阻止了荧光团的局部分子运动，从而提高了性能。

  DOI：

  10.1002/chem.202103175

文献信息

• [EN] IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES<br/>[FR] IMIDAZOPYRROLOPYRIDINE EN TANT QU'INHIBITEURS DE LA FAMILLE JAK DE KINASES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018112382A1

  公开（公告）日：2018-06-21

  2-((1r,4r)-4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile compounds, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions mediated by JAK, such as inflammatory bowel disease.

  2-((1r,4r)-4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile化合物，含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗由JAK介导的疾病状态、紊乱和疾病，如炎症性肠病的方法。
• Visible Light-Mediated [2 + 2] Cycloaddition Reactions of 1,4-Quinones and Terminal Alkynes
  作者：Shaista Sultan、Muneer-ul-Shafi Bhat、Masood Ahmad Rizvi、Bhahwal Ali Shah

  DOI：10.1021/acs.joc.9b00855

  日期：2019.7.19

  single-step synthesis of 4-hydroxy-functionalized bi-aryl and aryl/alkyl ketones via oxidative coupling of terminal alkynes with benzoquinones is reported. Furthermore, with naphthoquinones, owing to the cross-resonance of carbonyl with the aromatic ring, alkene–alkyne cycloaddition is more favored to give four-membered carbocyclic adducts, thereby precluding the requirement of preactivated alkynes.

  据报道，通过末端炔烃与苯醌的氧化偶联，一步合成4-羟基官能化的双芳基和芳基/烷基酮。此外，对于萘醌，由于羰基与芳环的交叉共振，更有利于烯烃-炔烃环加成生成四元碳环加合物，从而排除了对预活化炔烃的需求。
• Synthesis and structure-activity relationships of benzophenone hydrazone derivatives with insecticidal activity
  作者：Manfred B�ger、Dieter D�rr、Laurenz Gsell、Roger G Hall、Friedrich Karrer、Odd Kristiansen、Peter Maienfisch、Alfons Pascual、Alfred Rindlisbacher

  DOI：10.1002/1526-4998(200102)57:2<191::aid-ps275>3.0.co;2-o

  日期：2001.2

  A broad range of benzophenone hydrazone derivatives was prepared and tested against selected chewing insect pests, allowing the analysis of structure-activity relationships. Good activity was found only when the aromatic rings were substituted at the 4-positions with an halogen atom and a triflate or perhaloalkoxy group. In contrast, a number of substituents on the hydrazone part led to active compounds

  制备了广泛的二苯甲酮衍生物，并针对选定的咀嚼害虫进行了测试，从而分析了结构-活性关系。仅当芳环在4-位被卤素原子和三氟甲磺酸酯或全卤代烷氧基取代时，才发现良好的活性。相反，部分上的许多取代基导致活性化合物，用酰基型取代基可获得最佳结果。在针对斜纹夜蛾的半田间试验中证实了最佳代表的出色的实验室和温室活性。
• Strategies to Enhance the Photosensitization: Polymerization and the Donor–Acceptor Even–Odd Effect
  作者：Shunjie Liu、Haoke Zhang、Yuanyuan Li、Junkai Liu、Lili Du、Ming Chen、Ryan T. K. Kwok、Jacky W. Y. Lam、David Lee Phillips、Ben Zhong Tang

  DOI：10.1002/anie.201810326

  日期：2018.11.12

  Furthermore, PSs with A‐D‐A structures show enhanced photosensitization efficiency over those with D‐A‐D structures. Theoretical calculations suggest an enhanced intersystem crossing (ISC) efficiency by these strategies. Both in vitro and in vivo experiments demonstrate that the resulting materials can be used as photosensitizers in image‐guided photodynamic anticancer therapy. These guidelines are applicable

  具有供体-受体（D-A）结构的有机光敏剂（PS）设计中的一个特殊挑战是，它基于试验和错误而不是特定的规则。现在，通过提出两种提高光敏效率的有效策略来应对这些挑战：聚合促进的光敏和D-A奇偶效应。已发现共轭聚合物表现出更高的1 O 2发电效率要比它们的小分子同行高。此外，具有AD结构的PS与具有AD结构的PS相比，具有更高的光敏效率。理论计算表明，通过这些策略可以提高系统间穿越（ISC）的效率。体外和体内实验均表明，所得材料可在图像引导的光动力抗癌治疗中用作光敏剂。这些准则适用于其他聚合物和小分子，以导致新PS的发展。
• Quinoline and quinazoline derivatives inhibiting platelet-derived growth
  申请人：Kirin Beer Kabushiki Kaisha

  公开号：US06143764A1

  公开（公告）日：2000-11-07

  The present invention relates to novel quinoline derivatives and quinazoline derivatives represented by the following formula (I): ##STR1## [wherein R.sub.1 and R.sub.2 are each independently H or C.sub.1 -C.sub.4 -alkyl, or R.sub.1 and R.sub.2 together form C.sub.1 -C.sub.3 -alkylene, X is O, S or CH.sub.2, W is CH or N, and Q is a substituted aryl group or substituted heteroaryl group] and their pharmaceutically acceptable salts, having platelet-derived growth factor receptor autophosphorylation inhibitory activity, to pharmaceutical compositions containing these compounds, and to methods for the treatment of diseases associated with abnormal cell growth such as tumors.

  本发明涉及由以下式（I）表示的新型喹啉衍生物和喹唑啉衍生物：[其中R.sub.1和R.sub.2分别独立地为H或C.sub.1 -C.sub.4 -烷基，或R.sub.1和R.sub.2一起形成C.sub.1 -C.sub.3 -烷基，X为O、S或CH.sub.2，W为CH或N，Q为取代芳基或取代杂芳基]及其在药学上可接受的盐，具有血小板源性生长因子受体自磷酸化抑制活性，用于含有这些化合物的药物组合物，以及用于治疗与异常细胞生长（如肿瘤）相关的疾病的方法。