2-methyl-4-(trifluoromethyl)benzoyl chloride | 362640-63-9

• 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: 2-methyl-4-(trifluoromethyl)benzoyl chloride
• 英文别名: 2-Methyl-4-trifluoromethylbenzoyl chloride
• CAS: 362640-63-9
• 化学式: C₉H₆ClF₃O
• 分子量: 222.594
• InChiKey: IXEOHRICFANLHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methyl-4-(trifluoromethyl)benzoyl chloride 、 rac-1-methyl-3-phenyl-piperidin-3-ylamine 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以58%的产率得到rac-2-methyl-N-(1-methyl-3-phenyl-piperidin-3-yl)-4-trifluoromethyl-benzamide
  参考文献：
  名称：

  3-Amido-3-aryl-piperidines：一类新型的有效、选择性和口服活性 GlyT1 抑制剂

  摘要：

  3-Amido-3-aryl-piperidines 被发现是一种新型结构的 GlyT1 抑制剂。所开发的构效关系导致鉴定出对 GlyT2 异构体表现出优异选择性、类药物特性和口服给药后体内活性的高效化合物。

  DOI：

  10.1021/ml500005m
• 作为产物：
  描述：

  4,5-Dihydro-4,4-dimethyl-2-[2-methyl-4-[trifluoromethyl]phenyl]oxazole 在 盐酸 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 生成 2-methyl-4-(trifluoromethyl)benzoyl chloride
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034

文献信息

• PIPERIDINE DERIVATIVES
  申请人：Kolczewski Sabine

  公开号：US20100197715A1

  公开（公告）日：2010-08-05

  The present invention relates to a compound of formula I wherein R 1 , R 2 , and Ar are as defined herein or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer thereof. These compounds and their pharmaceutical compositions are useful in the treatment of neurological and neuropsychiatric disorders.

  本发明涉及式I的化合物，其中R1、R2和Ar定义如本文中所述，或涉及一种药物可接受的酸性加成盐，或涉及其相应的对映体和/或光学异构体。这些化合物及其药物组合物可用于治疗神经和神经精神障碍。
• Insecticidal anthranilamides
  申请人：——

  公开号：US20030229050A1

  公开（公告）日：2003-12-11

  This invention provides compounds of Formula (1), their N-oxides and agriculturally suitable salts wherein A, B, J, R 1 , R 2 , R 3 and R 4 and n are as defined in the disclosure. Also disclosed are methods for controlling arthropods comprising contacting the arthropods or their environment with an arthropodicidally effective amount of a compound of Formula (1) and compositions containing the compounds of Formula (1).

  这项发明提供了公式（1）的化合物，它们的N-氧化物和农业适用的盐，其中A、B、J、R1、R2、R3和R4以及n如披露中定义。还披露了控制节肢动物的方法，包括将节肢动物或其环境与公式（1）的化合物的有效量接触，并含有公式（1）的化合物的组合物。
• Synthesis, biological evaluation and molecular modeling of novel azaspiro dihydrotriazines as influenza virus inhibitors targeting the host factor dihydrofolate reductase (DHFR)
  作者：Valeria Francesconi、Luca Giovannini、Matteo Santucci、Elena Cichero、Maria Paola Costi、Lieve Naesens、Fabrizio Giordanetto、Michele Tonelli

  DOI：10.1016/j.ejmech.2018.05.059

  日期：2018.7

  Recently we identified cycloguanil-like dihydrotriazine derivatives, which provided host-factor directed antiviral activity against influenza viruses and respiratory syncytial virus (RSV), by targeting the human dihydrofolate reductase (hDHFR) enzyme. In this context we deemed interesting to further investigate the structure activity relationship (SAR) of our first series of cycloguanil-like dihydrotriazines, designing two novel azaspiro dihydrotriazine scaffolds. The present study allowed the exploration of the potential chemical space, around these new scaffolds, that are well tolerated for maintaining the antiviral effect by means of interaction with the hDHFR enzyme. The new derivatives confirmed their inhibitory profile against influenza viruses, especially type B. In particular, the two best compounds shared potent antiviral activity (4: EC50 = 0.29 mu M; 6: EC50 = 0.19 mu M), which was comparable to that of zanamivir (EC50 = 0.14 mu M), and better than that of ribavirin (EC50 = 3.2 mu M). In addition, these two compounds proved to be also effective against RSV (4: EC50 = 0.40 mu M, SI > 250; 6: EC50 = 1.8 mu M, SI > 56), surpassing the potency and selectivity index (SI) of ribavirin (EC50 = 5.8 mu M, SI >43). By a perspective of these results, the above adequately substituted azaspiro dihydrotriazines may represent valuable hit compounds worthy of further structural optimization to develop improved host DHFR-directed antiviral agents. (C) 2018 Elsevier Masson SAS. All rights reserved.
• AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2391603B1

  公开（公告）日：2014-01-08
• US9067911B2
  申请人：——

  公开号：US9067911B2

  公开（公告）日：2015-06-30