乙基4-氧代-4-[4-(三氟甲基)苯基]丁酸酯 | 155722-95-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙基4-氧代-4-[4-(三氟甲基)苯基]丁酸酯
• 英文名称: ethyl 4-oxo-4-(4-(trifluoromethyl)phenyl)butanoate
• 英文别名: Ethyl 4-oxo-4-(4-trifluoromethylphenyl)butyrate；ethyl 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoate
• CAS: 155722-95-5
• 化学式: C₁₃H₁₃F₃O₃
• mdl: MFCD02261349
• 分子量: 274.24
• InChiKey: PJXBSEMPGQDIBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙基4-氧代-4-[4-(三氟甲基)苯基]丁酸酯 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 以21 %的产率得到5-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one
  参考文献：
  名称：

  [EN] CDK8/19 DUAL INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DOUBLES DE CDK8/19 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The disclosure provides for compounds and methods for modulating or inhibiting CDK8/19. In one aspect, described herein are compounds of Formula (A'), (A), (A-I), (A-II), (II), (II-I), (II-II), (III), (B), (IV), (V), (VI), and (VII), and salts and solvates thereof. In one aspect, described herein are pharmaceutical compositions comprising a compound described herein, or a salt or solvate thereof. In one aspect, described herein are methods of treating a disease or condition comprising administering a described compound, or a salt or solvate thereof.

  公开号：

  WO2023078337A1
• 作为产物：
  描述：

  对溴三氟甲苯 在 碘 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 乙基4-氧代-4-[4-(三氟甲基)苯基]丁酸酯
  参考文献：
  名称：

  [EN] CDK8/19 DUAL INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DOUBLES DE CDK8/19 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The disclosure provides for compounds and methods for modulating or inhibiting CDK8/19. In one aspect, described herein are compounds of Formula (A'), (A), (A-I), (A-II), (II), (II-I), (II-II), (III), (B), (IV), (V), (VI), and (VII), and salts and solvates thereof. In one aspect, described herein are pharmaceutical compositions comprising a compound described herein, or a salt or solvate thereof. In one aspect, described herein are methods of treating a disease or condition comprising administering a described compound, or a salt or solvate thereof.

  公开号：

  WO2023078337A1

文献信息

• Organoselenium-Catalyzed Synthesis of Oxygen- and Nitrogen-Containing Heterocycles
  作者：Ruizhi Guo、Jiachen Huang、Haiyan Huang、Xiaodan Zhao

  DOI：10.1021/acs.orglett.5b03543

  日期：2016.2.5

  A new and efficient approach for the synthesis of oxygen and nitrogen heterocycles by organoselenium catalysis has been developed. The exo-cyclization proceeded smoothly under mild conditions with good functional group tolerance and excellent regioselectivity. Mechanistic studies revealed that 1-fluoropyridinium triflate is key for oxidative cyclization.

  已经开发了一种通过有机硒催化合成氧和氮杂环的新的有效方法。所述外切-cyclization具有良好的官能团耐受性和优良的区位选择性温和的条件下顺利进行。机理研究表明，三氟甲磺酸1-氟吡啶鎓是氧化环化的关键。
• Intermolecular Addition Reaction to Alkenes of Acylmolybdenum Complexes Generated by Oxidative Addition of Aryl or Alkenyl Halides with Molybdenum(0) Carbonyl Complexes
  作者：Nobuharu Iwasawa、Kenichiro Sangu、Toru Watanabe、Jun Takaya

  DOI：10.1055/s-2007-973858

  日期：2007.4

  Acylmolybdenum species, generated by oxidative addition of aryl or alkenyl halides with molybdenum(0) carbonyl complex followed by carbon monoxide insertion, added to various kinds of alkenes intermolecularly to give simple addition products in good yields without formation of carbonylative Heck-type products.

  酰基钼物种，通过芳基或烯基卤化物与钼 (0) 羰基络合物的氧化加成，然后插入一氧化碳，分子间添加到各种烯烃中，以良好的收率得到简单的加成产物，而不会形成羰基化的 Heck 型产物。
• Oxygenated heterocyclic compounds, pharmaceutical compositions containing them
  申请人：OXACO S.A.

  公开号：EP0585080A2

  公开（公告）日：1994-03-02

  Compounds having antiparasitic properties are 1,2,4-trioxanes of the formula : in which : R1 and R2 together with the adjacent carbon atom form a cycloalkyl group which may be interrupted by an oxygen atom ; R3 is a hydrogen atom or a hydroxyl gorup or etherified or esterified hydroxyl group, having the exo or the endo configuration, which, when an etherified, esterified or aminated group, may be further functionalized with a phosphate, phosphonate, carbamate or carboxylate group ; R4 is an aromatic substituent, optionally substituted with a halogen atom, an alkyl group, a trifluoromethyl group, an alkoxy-alkoxy group or an alkylamino group ; and the dotted lines between positions 5 and 6 and positions 6 and 7 indicate that there is present a 5,6- or 6,7- double bond.

  具有抗寄生虫特性的化合物是 1，2，4-三氧杂环己烷，其化学式为......： 其中： R1 和 R2 与相邻碳原子一起构成环烷基，环烷基可被氧原子打断； R3 是氢原子或羟基或具有外向或内向构型的醚化或酯化羟基，当其为醚化、酯化或胺化基团时，可进一步官能化为磷酸盐、膦酸盐、氨基甲酸酯或羧酸盐基团； R4 是芳香取代基，可选择被卤素原子、烷基、三氟甲基、烷氧基烷氧基或烷基氨基取代；位置 5 和 6 之间以及位置 6 和 7 之间的虚线表示存在 5,6- 或 6,7- 双键。
• Nitrogen‐doped Carbon Dots as Efficient Photocatalysts for High Selectivity of Dehalogenative Oxyalkylation of Styrene
  作者：Kai‐Kai Niu、Rong‐Zhen Zhang、Xuan‐Zong Yang、Chao‐Qun Ma、Hui Liu、Shengsheng Yu、Ling‐Bao Xing

  DOI：10.1002/cssc.202301686

  日期：2024.4.22

  diethylenetriamine in a solvothermal method. N-CDs has excellent ability to generate 1O2 and O2⋅− under irradiation and was further employed as photocatalysts to promote the high selectivity of dehalogenative oxyalkylation of styrene under the mediation of oxygen.

  我们通过溶剂热法使用柠檬酸和二亚乙基三胺设计并制造了氮掺杂碳点（N-CD）。 N-CDs在辐照下具有优异的产生1 O 2和O 2 ⋅ -的能力，并进一步用作光催化剂，以促进苯乙烯在氧气介导下的脱卤烷氧基化的高选择性。
• [EN] CDK8/19 DUAL INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DOUBLES DE CDK8/19 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]INSILICO MEDICINE IP LIMITED

  公开号：WO2023078337A1

  公开（公告）日：2023-05-11

  The disclosure provides for compounds and methods for modulating or inhibiting CDK8/19. In one aspect, described herein are compounds of Formula (A'), (A), (A-I), (A-II), (II), (II-I), (II-II), (III), (B), (IV), (V), (VI), and (VII), and salts and solvates thereof. In one aspect, described herein are pharmaceutical compositions comprising a compound described herein, or a salt or solvate thereof. In one aspect, described herein are methods of treating a disease or condition comprising administering a described compound, or a salt or solvate thereof.