1-(3,5-bis(trifluoromethyl)phenyl)-3-methylthiourea | 67514-49-2

• 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: 1-(3,5-bis(trifluoromethyl)phenyl)-3-methylthiourea
• 英文别名: N-(3,5-bis-trifluoromethyl-phenyl)-N'-methyl-thiourea；1-[3,5-Bis(trifluoromethyl)phenyl]-3-methylthiourea
• CAS: 67514-49-2
• 化学式: C₁₀H₈F₆N₂S
• 分子量: 302.243
• InChiKey: LDBCIBMWTGQHLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(3,5-bis(trifluoromethyl)phenyl)-3-methylthiourea 、 4-chloro-N-cycloheptyl-3-oxobutanamide 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Privileged Structure-based Discovery of Novel 2-Iminothiazoles as Protein Tyrosine Phosphatase 1B Inhibitors

  摘要：

  DOI：

  10.5012/bkcs.2013.34.10.2861
• 作为产物：
  描述：

  3,5-双(三氟甲基)苯基异硫氰酯 、 甲胺 以 乙醇 、 二氯甲烷 为溶剂， 以87%的产率得到1-(3,5-bis(trifluoromethyl)phenyl)-3-methylthiourea
  参考文献：
  名称：

  Synthesis, antibacterial and anti-MRSA activity, in vivo toxicity and a structure–activity relationship study of a quinoline thiourea

  摘要：

  We report the synthesis, antibacterial evaluation of a series of thiourea-containing compounds. 1-(3,5-Bis (trifluoromethyl) phenyl)-3-((S)-(6-methoxyquinolin-4-yl)-((1S, 2S, 4S, 5R)-5-vinylquinuclidin-2-yl) methyl) thiourea 5, was the most active against a range of Gram-positive and Gram-negative bacteria, and exhibited bacteriostatic activity against methicillin resistant Staphylococcus aureus (MRSA) comparable to that of the well-known antibacterial agent vancomycin. Quinoline thiourea 5 was subjected to a detailed structure-activity relationship study, with 5 and its derivatives evaluated for their bacteriostatic activity against both Gram-negative and Gram-positive bacteria. A number of structural features important for the overall activity of quinoline thiourea 5 have been identified. A selection of compounds, including 5, was also evaluated for their in vivo toxicity using the larvae of the Greater wax moth, Galleria mellonella. Compound 5, and a number of derivatives, were found to be non-toxic to the larvae of Galleria mellonella. A new class of antibiotic can result from the further development of this family of compounds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.11.058

文献信息

• Organocatalysts and methods of use in chemical synthesis
  申请人：Wang Wei

  公开号：US20090088588A1

  公开（公告）日：2009-04-02

  The present invention is directed to compositions comprising organocatalysts that facilitate stereo-selective reactions and the method of their synthesis and use. Particularly, the invention relates to metal-free organocatalysts for facilitation of stereo-selective reactions, and the method of their synthesis and use.

  本发明涉及包含有机催化剂的组合物，该催化剂促进立体选择性反应以及其合成和使用方法。特别是，该发明涉及用于促进立体选择性反应的无金属有机催化剂，以及其合成和使用方法。
• Substituted 4,5-dihydroxy-imidazolidine-2-thiones and their use as
  申请人：Bayer Aktiengesellschaft

  公开号：US04173645A1

  公开（公告）日：1979-11-06

  The present invention provides, as compounds, the substituted 4,5-dihydroxy-imidazolidine-2-thiones of the general formula ##STR1## in which R.sup.1, R.sup.2 and R.sup.3, which are selected independently of one another each represent hydrogen, optionally substituted alkyl, optionally substituted alkoxy or halogen and R.sup.4 represents optionally substituted alkyl, cycloalkyl or alkenyl. It has been found that the compounds of this invention have a powerful ectoparasiticidal action, in particular against acarids.

  本发明提供了一种化合物，即一般式为##STR1##的取代4,5-二羟基咪唑啉-2-硫酮。其中R.sup.1，R.sup.2和R.sup.3分别选择独立的氢，可选取代烷基，可选取代烷氧基或卤素，而R.sup.4代表可选取代烷基，环烷基或烯基。发现本发明的化合物具有强大的外寄生虫杀虫作用，特别是对螨虫。
• SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS
  申请人：THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：US20150329570A1

  公开（公告）日：2015-11-19

  Methods and intermediates useful for making compounds of Formula (I) are described, including a general method of making an alpha, beta-diamino ketone by reacting an imine with a 2-amino-substituted 1,3-dicarbonyl in a Mannich addition reaction to produce said alpha,beta-diamino ketone.

  本文描述了用于制备公式(I)化合物的方法和中间体，包括通过将亚胺与2-氨基取代的1,3-二羰基在曼尼希加成反应中反应以产生所述的α，β-二氨基酮的通用方法。
• Haptens, hapten conjugates, compositions thereof and method for their preparation and use
  申请人：Kosmeder Jerome W.

  公开号：US20100184087A1

  公开（公告）日：2010-07-22

  A method for performing a multiplexed diagnostic assay, such as for two or more different targets in a sample, is described. One embodiment comprised contacting the sample with two or more specific binding moieties that bind specifically to two or more different targets. The two or more specific binding moieties are conjugated to different haptens, and at least one of the haptens is an oxazole, a pyrazole, a thiazole, a nitroaryl compound other than dinitrophenyl, a benzofurazan, a triterpene, a urea, a thiourea, a rotenoid, a coumarin, a cyclolignan, a heterobiaryl, an azo aryl, or a benzodiazepine. The sample is contacted with two or more different anti-hapten antibodies that can be detected separately. The two or more different anti-hapten antibodies may be conjugated to different detectable labels.
• OPTICAL SYSTEM FOR DISPLAYING THREE DIMENSIONAL IMAGE
  申请人：Korea Advanced Institute of Science and Technology

  公开号：US20210379561A1

  公开（公告）日：2021-12-09

  The disclosed pre-concentrator comprises: a base substrate having a trench; a metal layer conformally disposed along the inner surface of the trench; and a three-dimensional porous nanostructure disposed on the metal layer in the trench and having aligned pores connected to each other in three dimensions. The pre-concentrator can improve the concentration performance of a sample and the thermal desorption efficiency of a concentrated sample.