4-(tert-butyl)phenylsulfur pentafluoride | 1522408-94-1

• 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-(tert-butyl)phenylsulfur pentafluoride
• 英文别名: (4-(tert-Butyl)phenyl)pentafluoro-l6-sulfane；(4-tert-butylphenyl)-pentafluoro-λ6-sulfane
• CAS: 1522408-94-1
• 化学式: C₁₀H₁₃F₅S
• 分子量: 260.271
• InChiKey: KBUKBOSHRLELMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  bis(4-tert-butylphenyl)disulfide 在 iodine pentafluoride 、 氯 、 cesium fluoride 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 4-(tert-butyl)phenylsulfur pentafluoride
  参考文献：
  名称：

  IF 5影响CL-F交换氟化的最后阶段中的五氟- λ合成6硫烷基-吡啶，嘧啶和苯与吸电子取代基

  摘要：

  在五氟λ的制备的最后阶段甲难以氯-氟（CL-F）交换氟化反应6具有吸电子取代基-sulfanyl-（杂）芳烃现已通过使用五氟化碘的阐明。F和I与卤素键之间的潜在相互作用充分抑制了CS键断裂的主要副反应。

  DOI：

  10.1039/c7cc02802d

文献信息

• Silver-induced self-immolative Cl–F exchange fluorination of arylsulfur chlorotetrafluorides: synthesis of arylsulfur pentafluorides
  作者：Benqiang Cui、Shichong Jia、Etsuko Tokunaga、Norimichi Saito、Norio Shibata

  DOI：10.1039/c7cc07222h

  日期：——

  A novel strategy for the synthesis of arylsulfur pentafluorides by silver carbonate-induced Cl–F exchange fluorination of arylsulfur chlorotetrafluorides is reported. This fluorination does not require any exogenous fluoride sources. Rather, the reaction proceeds via the self-immolation of the substrate Ar-SF4Cl.

  报道了一种通过碳酸银诱导的芳基硫代四氟化氯的Cl-F交换氟化合成芳基五氟化硫的新策略。这种氟化不需要任何外来的氟化物源。而是，反应通过基板Ar-SF 4 Cl的自焚而进行。
• METHOD OF PRODUCING PENTAFLUOROSULFANYL AROMATIC COMPOUND
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20200062709A1

  公开（公告）日：2020-02-27

  A method of producing a pentafluorosulfanyl aromatic compound is provided. A method of producing a pentafluorosulfanyl aromatic compound represented by general formula (3): Ar—(SF 5 ) k (3) where Ar is a substituted or an unsubstituted aryl group or heteroaryl group, and k is an integer of 1 to 3; the method includes reacting IF 5 with a halotetrafluorosulfanyl aromatic compound represented by general formula (2): Ar—(SF 4 Hal) k (2) where Ar and k are defined as above; and Hal is a Cl group, a Br group, or an I group.

  提供了一种生产五氟硫基芳基化合物的方法。生产由通式（3）表示的五氟硫基芳基化合物的方法如下： Ar—(SF 5 ) k (3) 其中Ar是取代或未取代的芳基或杂环芳基，k是1到3的整数； 该方法包括将IF 5 与由通式（2）表示的卤代四氟硫基芳基化合物反应： Ar—(SF 4 Hal) k (2) 其中Ar和k如上定义；Hal是氯基、溴基或碘基。
• OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS
  申请人：Genentech, Inc.

  公开号：US20190284179A1

  公开（公告）日：2019-09-19

  The invention relates to compounds of formula I: and pharmaceutically acceptable salts thereof wherein A, X, R 1 , R 4 and n are as defined herein. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  这项发明涉及以下式I的化合物： 以及其药学上可接受的盐，其中A、X、R 1 、R 4 和n如本文所定义。此外，本发明涉及制造和使用式I化合物的方法，以及含有这些化合物的药物组合物。这些化合物可能在治疗由TRPA1介导的疾病和症状方面有用，如疼痛。
• An improved method for the fluorination of arylsulfur chlorotetrafluorides to arylsulfur pentafluorides
  作者：Katrin Lummer、Maxim V. Ponomarenko、Gerd-Volker Röschenthaler、Matthias Bremer、Petr Beier

  DOI：10.1016/j.jfluchem.2013.10.009

  日期：2014.1

  A new method for the fluorination of arylsulfur chlorotetrafluorides to arylsulfur pentafluorides is described. The reaction is promoted by hydrogen fluoride generated from potassium hydrogen fluoride and trifluoroacetic acid which also serves as a solvent. The reaction is performed under mild conditions and uses substochiometric amounts of potassium hydrogen fluorides in certain cases. Recovery and

  描述了一种将芳基硫四氯氟化物氟化为芳基五氟化硫的新方法。该反应是通过从氢氟化钾和三氟乙酸也用作溶剂产生的氟化氢促进。该反应在温和的条件下进行，并使用低于化学计量的在某些情况下氢钾氟化物。恢复和三氟乙酸的再利用被成功地证明这使得该方法安全，简单易用，和原子 - 和具有成本效益。
• NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF
  申请人：SANOFI

  公开号：US20180079720A1

  公开（公告）日：2018-03-22

  Compounds of formula (I): wherein R1 and R2 represent hydrogen or deuterium atoms; R3 represents a hydrogen atom or a —COOH, a —OH or a —OPO(OH) 2 group; R4 represents a hydrogen atom or a fluorine atom; R5 represents a hydrogen atom or a —OH group; wherein at least one of R3 or R5 is different from a hydrogen atom; when R3 represents a —COOH, —OH or —OPO(OH) 2 group, then R5 represents a hydrogen atom; when R5 represents a —OH group, then R3 and R4 represent hydrogen atoms; and R6 is selected from an optionally substituted phenyl, heteroaryl, cycloalkyl and heterocycloalkyl group; and the preparation and the therapeutic uses of the compounds of formula (I) as inhibitors and degraders of estrogen receptors, useful especially in the treatment of cancer.

  化合物的式子为(I):其中R1和R2代表氢或氘原子；R3代表氢原子或—COOH，—OH或—OPO(OH)2基团；R4代表氢原子或氟原子；R5代表氢原子或—OH基团；其中至少一个R3或R5不同于氢原子；当R3代表—COOH，—OH或—OPO(OH)2基团时，R5代表氢原子；当R5代表—OH基团时，R3和R4代表氢原子；R6从可选取的取代苯基，杂环芳基，环烷基和杂环烷基群中选择；化合物的制备和治疗用途为公式(I)的抑制剂和降解剂，特别适用于癌症治疗。