4-(2,6-Dimethylphenyl)-3-buten-2-one | 86347-16-2

• 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-(2,6-Dimethylphenyl)-3-buten-2-one
• 英文别名: 4-(2,6-dimethylphenyl)but-3-en-2-one
• CAS: 86347-16-2
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: RYPTVGIUNNOQJF-UHFFFAOYSA-N

物化性质

• 沸点：
  286.9±9.0 °C(Predicted)
• 密度：
  0.986±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(2,6-Dimethylphenyl)-3-buten-2-one 在 palladium on carbon 、 氢气 作用下， 以 乙醇 为溶剂， 生成 4-(2,6-二甲基苯基)丁烷-2-酮
  参考文献：
  名称：

  Synthesis and anti-migrative evaluation of moverastin derivatives

  摘要：

  Cell migration of tumor cells is essential for invasion of the extracellular matrix and for cell dissemination. Inhibition of the cell migration involved in the invasion process represents a potential therapeutic approach to the treatment of tumor metastasis; therefore, a novel series of derivatives of moverastins (moverastins A and B), an inhibitor of tumor cell migration, was designed and chemically synthesized. Among these moverastin derivatives, several compounds showed stronger cell migration inhibitory activity than parental moverastins, and UTKO1 was found to have the most potent inhibitory activity against the migration of human esophageal tumor EC17 cells in a chemotaxis cell chamber assay. Interestingly, although moverastins are considered to inhibit tumor cell migration by inhibiting farnesyltransferase (FTase), UTKO1 did not inhibit FTase, indicating that UTKO1 inhibited tumor cell migration by a mechanism other than the inhibition of FTase. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.028
• 作为产物：
  描述：

  1-三苯基膦-2-丙酮 、 2,6-二甲基苯甲醛 以 二氯甲烷 为溶剂， 以85%的产率得到4-(2,6-Dimethylphenyl)-3-buten-2-one
  参考文献：
  名称：

  Synthesis and anti-migrative evaluation of moverastin derivatives

  摘要：

  Cell migration of tumor cells is essential for invasion of the extracellular matrix and for cell dissemination. Inhibition of the cell migration involved in the invasion process represents a potential therapeutic approach to the treatment of tumor metastasis; therefore, a novel series of derivatives of moverastins (moverastins A and B), an inhibitor of tumor cell migration, was designed and chemically synthesized. Among these moverastin derivatives, several compounds showed stronger cell migration inhibitory activity than parental moverastins, and UTKO1 was found to have the most potent inhibitory activity against the migration of human esophageal tumor EC17 cells in a chemotaxis cell chamber assay. Interestingly, although moverastins are considered to inhibit tumor cell migration by inhibiting farnesyltransferase (FTase), UTKO1 did not inhibit FTase, indicating that UTKO1 inhibited tumor cell migration by a mechanism other than the inhibition of FTase. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.028

文献信息

• Antihypertensive substituted imidazole derivatives
  申请人：Farmos Group, Ltd.

  公开号：US04544664A1

  公开（公告）日：1985-10-01

  The invention provides novel compounds of the formula: ##STR1## wherein the various substituents are defined herein below. Processes for the preparation of these compounds are described, as are novel pharmaceutical compositions comprising at least one of the compounds of their salts. The compounds and their non-toxic salts exhibit valuable pharmacological activity and are useful in the treatment of mammals, especially as antihypertensive agents. Furthermore, some of the compounds have proved to possess antithrombotic and diuretic activity. Antimycotic and antifungal properties have also been found.

  本发明提供了新的化合物，其化学式为：##STR1## 其中各个取代基在下文中定义。本发明还描述了制备这些化合物的方法，以及包含至少一种该化合物或其盐的新型制药组合物。这些化合物及其无毒盐具有有价值的药理活性，并可用于哺乳动物的治疗，特别是作为降压剂。此外，一些化合物已被证明具有抗血栓和利尿活性。还发现了抗真菌和抗真菌特性。
• Substituted imidazole derivatives useful as antihypertensive or
  申请人：Farmos Group Ltd.

  公开号：US04826864A1

  公开（公告）日：1989-05-02

  Substituted imidazoles of the formula ##STR1## wherein R.sub.1 is H, an alkyl of 1 to 4 carbon atoms or --CH.sub.2 OH; R.sub.2 is H or CH.sub.3 ; R.sub.3 is ##STR2## and R.sub.4 is H; R.sub.5, R.sub.6 and R.sub.7 which can be the same or different, are H, --CH.sub.3 , --CH.sub.2 CH.sub.3, halogen, OH or --OCH.sub.3, or R.sub.5 is hydrogen and R.sub.6 and R.sub.7 together form an --O--CH.sub.2 --O--bridge between two adjacent carbon atoms in the phenyl group; provided that when R.sub.1, R.sub.2 and R.sub.4 are all hydrogen, then R.sub.5, R.sub.6, R.sub.7 are not all simultaneously hydrogen; or non-toxic pharmaceutically acceptable acid addition salts thereof. The substituted imidazoles are useful as anti-hypertensives or anti-thrombotic agents or diuretics.

  式为##STR1##的取代咪唑化合物，其中R.sub.1为H、1至4个碳原子的烷基或--CH.sub.2 OH; R.sub.2为H或CH.sub.3; R.sub.3为##STR2##和R.sub.4为H; R.sub.5、R.sub.6和R.sub.7可以相同也可以不同，为H、--CH.sub.3、--CH.sub.2 CH.sub.3、卤素、OH或--OCH.sub.3，或者R.sub.5为氢，R.sub.6和R.sub.7共同形成一个--O--CH.sub.2 --O--桥，连接苯基中相邻的两个碳原子；前提是当R.sub.1、R.sub.2和R.sub.4都是氢时，R.sub.5、R.sub.6、R.sub.7不能同时为氢；或其非毒性药学上可接受的酸盐。这些取代咪唑化合物可用作降压剂、抗血栓剂或利尿剂。
• Substituted dihydropyridines and methods of use
  申请人：Hurt Ray Clarence

  公开号：US20070112015A1

  公开（公告）日：2007-05-17

  Compounds are provided that are modulators of the C5a receptor. The compounds are substituted dihydropyridines and are useful in pharmaceutical compositions, methods for the treatment of diseases and disorders involving the pathologic activtation of C5a receptors.

  提供了调节C5a受体的化合物。这些化合物是取代二氢吡啶，并可用于制药组合物、治疗涉及C5a受体病理性激活的疾病和障碍的方法。
• Amphiphilic Indoles as Efficient Phase‐Transfer Catalysts for Bromination in Water
  作者：Qingyu Zhang、Yongyuan Xu、Xiaochen Liang、Zhihai Ke

  DOI：10.1002/cssc.202200574

  日期：2022.6.22

  Just add water: Under the phase-transfer catalysis of amphiphilic indoles, an efficient and environmentally friendly bromination in water is developed. As test reactions, hydroxybromination of olefins and aromatic bromination are conducted.

  只需加水：在两亲性吲哚的相转移催化下，开发了一种高效、环保的水中溴化反应。作为试验反应，进行烯烃的羟基溴化和芳族溴化。
• Probing the Visible Light‐Driven Geometrical Isomerization of 4‐Arylbut‐3‐ene‐2‐amines
  作者：Timothy Schoch、Hannah Wyneken、Megan Despain、Jimmie D. Weaver

  DOI：10.1002/cctc.202301002

  日期：2023.11.22

  Instantiated with a set of styrylamines, parameters affecting photosensitized alkene geometrical isomerization were investigated. Raised temperature was found to reduce inherent Z-enrichment, bulky arenes reinforced Z-enrichment, and certain heterocycles favored accumulation of E isomer. Actinometric assessment was made on the influence of arene bulk, solvent, and presence of oxygen on the reaction

  用一组苯乙烯胺实例化，研究了影响光敏烯烃几何异构化的参数。研究发现升高的温度会减少固有的 Z 富集，大体积芳烃会增强 Z 富集，并且某些杂环有利于 E 异构体的积累。对芳烃本体、溶剂和氧的存在对反应速率的影响进行光化评估。