五氟化(3-醛苯基)硫 | 401892-80-6

• 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: 五氟化(3-醛苯基)硫
• 英文名称: 3-(pentafluorothio)benzaldehyde
• 英文别名: 3-(pentafluorosulfanyl)benzaldehyde；3-(pentafluoro-λ6-sulfanyl)benzaldehyde
• CAS: 401892-80-6
• 化学式: C₇H₅F₅OS
• mdl: MFCD03788517
• 分子量: 232.174
• InChiKey: APFMXGBPENUHDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.1
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C，惰性气体

反应信息

• 作为反应物：
  描述：

  五氟化(3-醛苯基)硫 在 sodium hydroxide 、 silver(l) oxide 作用下， 以 水 为溶剂， 反应 20.0h， 以98%的产率得到五氟化(3-羧苯基)硫
  参考文献：
  名称：

  Synthesis and characterisation of 3- and 4-(pentafluorosulfanyl)benzoic acid derivatives

  摘要：

  The high yield synthesis of 3- and 4-(pentafluorosulfanyl)benzoic acid derivatives is described starting from the NO2-derivatives, which are reduced to the corresponding anilines. Then the NH2- group is converted to bromide and subsequently to the HC = O moiety. The benzaldeydes are then oxidised to the corresponding benzoic acids. The X-ray structure of 3-SF5-C6H4-COOH is also reported. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.07.011
• 作为产物：
  描述：

  哌啶-1-甲醛 、 3-溴苯基五氟化硫 在 叔丁基锂 作用下， 以 乙醚 、 正戊烷 为溶剂， 反应 5.0h， 以96%的产率得到五氟化(3-醛苯基)硫
  参考文献：
  名称：

  Synthesis and characterisation of 3- and 4-(pentafluorosulfanyl)benzoic acid derivatives

  摘要：

  The high yield synthesis of 3- and 4-(pentafluorosulfanyl)benzoic acid derivatives is described starting from the NO2-derivatives, which are reduced to the corresponding anilines. Then the NH2- group is converted to bromide and subsequently to the HC = O moiety. The benzaldeydes are then oxidised to the corresponding benzoic acids. The X-ray structure of 3-SF5-C6H4-COOH is also reported. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.07.011

文献信息

• <i>In situ ortho</i>-lithiation/functionalization of pentafluorosulfanyl arenes
  作者：Thanh V. Le、Olafs Daugulis

  DOI：10.1039/d1cc06140b

  日期：——

  ortho-functionalization of pentafluorosulfanyl arenes has been developed. ortho-Lithiation with lithium tetramethylpiperidide at −60 °C in the presence of silicon, germanium, and tin electrophiles affords trapped products in moderate to high yields. Precise temperature regimes and the presence of electrophiles during lithiation are important for successful reactions, since the pentafluorosulfanyl group

  已经开发了一种用于五氟硫烷基芳烃的邻位官能化的通用方法。邻-在硅、锗和锡亲电子试剂存在下，在 -60 °C 下用四甲基哌啶锂进行锂化，以中等至高产率提供捕获的产物。锂化过程中精确的温度范围和亲电试剂的存在对于成功的反应很重要，因为五氟硫烷基在高于 -40 °C 的温度下充当有能力的离去基团。氟、溴、碘、可烯醇化的酮、氰基、酯、酰胺和未取代的氨基官能团与反应条件相容。还证明了 2-二甲基甲硅烷基五氟硫烷基苯转化为 2-卤代衍生物，可用作交叉偶联化学中的起始材料。
• MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：US20180098541A1

  公开（公告）日：2018-04-12

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, pesticidal compositions containing such molecules, and processes of using such pesticidal compositions against such pests. These pesticidal compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫有用的杀虫性的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的杀虫组合物，以及使用这种杀虫组合物对这些害虫进行处理的过程。这些杀虫组合物可以用作螨虫剂、杀虫剂、螨虫剂、软体动物杀虫剂和线虫杀虫剂。本文件披露了具有以下式（“式一”）的分子。
• [EN] (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES<br/>[FR] CARBAMATES (2-AMINO-4(ARYLAMINO)PHÉNYL)
  申请人：UNIV PITTSBURGH

  公开号：WO2016077724A1

  公开（公告）日：2016-05-19

  A compound, or pharmaceutically acceptable salt thereof, having a formula (I) wherein R1 is H or optionally-substituted alkyl; R2 is optionally-substituted alkyl; R3 and R4 are each independently H or optionally-substituted alkyl; R5 is H, optionally-substituted alkyl, acyl, or alkoxycarbonyl; R6 and R7 are each independently H, deuterium, optionally- substituted alkyl, or R6 and R7 together form a carbocyclic; R8 is optionally-substituted thiazolyl, optionally-substituted thiophenyl, or substituted phenyl, provided that if R8 is 4-halophenyl, then R2 is substituted alkyl or branched alkyl or at least one of R6 or R7 is not H; and R30, R31 and R32 are each independently H, deuterium, halogen, substituted sulfanyl, or optionally-substituted alkoxy.

  一种化合物，或其药学上可接受的盐，其具有以下式(I)：其中R1为H或可选择性取代的烷基；R2为可选择性取代的烷基；R3和R4各自独立地为H或可选择性取代的烷基；R5为H、可选择性取代的烷基、酰基或烷氧羰基；R6和R7各自独立地为H、氘、可选择性取代的烷基，或R6和R7一起形成一个环烷基；R8为可选择性取代的噻唑基、可选择性取代的噻吩基，或取代的苯基，但如果R8为4-卤苯基，则R2为取代的烷基或支链烷基，或者R6或R7中至少一个不是H；而R30、R31和R32各自独立地为H、氘、卤素、取代的烷硫基，或可选择性取代的烷氧基。
• Synthesis and Evaluation of Potent KCNQ2/3-Specific Channel Activators
  作者：Manoj Kumar、Nicholas Reed、Ruiting Liu、Elias Aizenman、Peter Wipf、Thanos Tzounopoulos

  DOI：10.1124/mol.115.103200

  日期：2016.6

  KQT-like subfamily (KCNQ) channels are voltage-gated, noninactivating potassium ion channels, and their down-regulation has been implicated in several hyperexcitability-related disorders, including epilepsy, neuropathic pain, and tinnitus. Activators of these channels reduce the excitability of central and peripheral neurons, and, as such, have therapeutic utility. Here, we synthetically modified several

  KQT样亚家族（KCNQ）通道是电压门控的非灭活钾离子通道，其下调与多种与过度兴奋性相关的疾病有关，包括癫痫，神经性疼痛和耳鸣。这些通道的激活剂降低了中枢和周围神经元的兴奋性，因此具有治疗作用。在这里，我们合成了KCNQ2-5通道激活剂瑞替加滨的几个部分，这是美国食品和药物管理局批准的抗惊厥药。通过在苄胺部分的4位上引入CF3-基团并在苯胺环的3位上引入氟原子，我们生成了乙基（2-氨基-3-氟-4-（（4-（三氟甲基）苄基）氨基）苯基）氨基甲酸酯（RL648_81），一种新的KCNQ2 / 3特异性活化剂，其> 比瑞替加滨强15倍，而且选择性更高。我们建议RL648_81是用于治疗或预防与神经元过度兴奋有关的神经系统疾病的有前途的临床候选药物。
• New Pyrano‐4 <i>H</i> ‐benzo[ <i>g</i> ]chromene‐5,10‐diones with Antiparasitic and Antioxidant Activities
  作者：Ibrahim S. Al Nasr、Jana Jentzsch、Amin Shaikh、Priti Singh Shuveksh、Waleed S. Koko、Tariq A. Khan、Khursheed Ahmed、Rainer Schobert、Klaus Ersfeld、Bernhard Biersack

  DOI：10.1002/cbdv.202000839

  日期：2021.1

  investigated for their activity against Trypanosoma brucei, Leishmania major, and Toxoplasma gondii parasites. The pentafluorophenyl derivative was efficacious against T. brucei with single digit micromolar EC50 values and against T. gondii with even sub‐micromolar values. The 3‐chloro‐4,5‐dimethoxyphenyl derivative showed an activity against amastigotes of Leishmania major parasites comparable to that

  合成了新的吡喃萘醌衍生物并研究了它们对布氏锥虫、主要利什曼原虫和弓形虫寄生虫的活性。五氟苯基衍生物对具有个位数微摩尔 EC50 值的布氏锥虫有效，甚至对亚微摩尔值的刚地弓形虫有效。3-氯-4,5-二甲氧基苯基衍生物对利什曼原虫主要寄生虫的无鞭毛体具有与两性霉素 B 相当的活性。此外，观察到溴苯基衍生物的抗氧化活性，并通过循环伏安法研究了它们的氧化还原行为。新萘醌衍生物的抗寄生虫和抗氧化活性似乎不相关。