S-(三氟甲基)二苯并噻吩-3-磺酸盐 | 160656-62-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: S-(三氟甲基)二苯并噻吩-3-磺酸盐
• 英文名称: 5-(trifluoromethyl)-5H-dibenzo[b,d]thiophenium-3-sulfonate
• 英文别名: S-(Trifluoromethyl)dibenzothiophenium-3-sulfonate；5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate
• CAS: 160656-62-2
• 化学式: C₁₃H₇F₃O₃S₂
• 分子量: 332.324
• InChiKey: MAAZDBJRZKJGIM-UHFFFAOYSA-N

物化性质

• 熔点：
  160-165°C (dec.)
• 稳定性/保质期：
  遵循规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 储存条件：
  存储在阴凉干燥处。

反应信息

• 作为反应物：
  描述：

  S-(三氟甲基)二苯并噻吩-3-磺酸盐 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 24.0h， 生成 二苯并[b,d]噻吩-3-磺酰氯
  参考文献：
  名称：

  TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS

  摘要：

  目前的教导与式I的化合物有关：及其药用盐和酯，其中R1、R2、R3、R4、X和Y如本文所定义。目前的教导还提供了制备式I化合物的方法以及抑制基质金属蛋白酶的方法，特别是可能参与哺乳动物中发现的病理性疾病，包括人类。

  公开号：

  US20100227859A1
• 作为产物：
  描述：

  S-(三氟甲基)二苯并噻吩三氟甲基磺酸盐 在 硫酸 作用下， 反应 5.5h， 以73%的产率得到S-(三氟甲基)二苯并噻吩-3-磺酸盐
  参考文献：
  名称：

  Useful electrophilic trifluoromethylating agents; S-, Se- and Te-(trifluoromethyl)dibenzo-thio-, -seleno- and -telluro-phenium-3-sulfonates

  摘要：

  Se, Se- and Te-(Trifluoromethyl) dibenzo-thio-, -seleno- and -telluro-phenium-3-sulfonates and their dimethyl and nitro derivatives have been synthesized in good yield by sulfonation of the corresponding (trifluoromethyl)dibenzocyclic chalcogen salts with fuming sulfuric acid or by sulfonation followed by nitration. The practical use of these power-variable trifluoromethylating agents has been demonstrated. Thus, they provide good yields of trifluoromethylated products, and the by-product (a salt of dibenzothiophene-3-sulfonic acid or an analog) was easily removed from the products by filtration or by washing with water. S-(Perfluoro-ethyl, -n-butyl- and -n-octyl)dibenzothiophenium-3-sulfonates have also been synthesized and a similar perfluoroalkylation using one of them has been accomplished.

  DOI：

  10.1016/0022-1139(95)03253-a

文献信息

• Effective methods for preparing S-(trifluoromethyl)dibenzothiophenium salts
  作者：Teruo Umemoto、Sumi Ishihara

  DOI：10.1016/s0022-1139(98)00276-0

  日期：1998.11

  developed for the preparation of useful electrophilic trifluoromethylating agents, S-(trifluoromethyl)dibenzothiophenium tetrafluoroborate (3) and triflate (4) and S-(trifluoromethyl)dibenzothiophenium-3-sulfonate (6). Thus, salts 3 and 4 were produced by the intramolecular cyclization of sulfoxide 1 with fuming sulfuric acid, followed by the counteranion replacement reaction of the intermediate (2) with sodium

  开发了用于制备有用的亲电三氟甲基化剂，S-（三氟甲基）二苯并噻吩四氟硼酸酯（3）和三氟甲磺酸酯（4）和S-（三氟甲基）二苯并噻吩-3-磺酸盐（6）的新的有效方法。因此，盐3和4是由亚砜的分子内环化产生1与发烟硫酸，随后中间物（的抗衡阴离子置换反应2）与四氟硼酸盐和三氟甲磺酸酯钠和盐6是直接从生产1用过量的发烟硫酸处理。还介绍了1的有用制备方法。
• ELECTROLYTE, ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL DEVICE USING THE SAME
  申请人：Guan Shiyou

  公开号：US20100085683A1

  公开（公告）日：2010-04-08

  Disclosed herein is an electrolyte having excellent long-term reliability, a high withstanding voltage (a wide potential window), and high conductivity. The electrolyte contains a quaternary ammonium salt represented by the following general formula (1): wherein R 1 represents a hydrocarbon group; R 2 represents a hydrocarbon group, a hydrogen atom, or a halogen atom; R 3 to R 14 each represent an alkyl group, a fluoroalkyl group, a hydrogen atom or a halogen atom, C and C* each represent a carbon atom, N represents a nitrogen atom; h, i, j, x, y, and z are each an integer of 0 to 6, (h+x) is an integer of 0 to 6, (i+y) and (j+z) are each an integer of 1 to 6; and X − represents a counter anion having a HOMO energy of −0.60 to −0.20 a.u. as determined by the first-principle calculation on molecular orbital of the counter anion.

  本文公开了一种具有优异长期可靠性、高耐压（宽电位窗口）和高电导率的电解质。该电解质含有以下通式（1）所表示的季铵盐：其中，R1表示烃基；R2表示烃基、氢原子或卤素原子；R3至R14各自表示烷基、氟烷基、氢原子或卤素原子；C和C*各自表示碳原子，N表示氮原子；h、i、j、x、y和z各自为0至6的整数，（h+x）为0至6的整数，（i+y）和（j+z）各自为1至6的整数；X-表示一个具有-0.60至-0.20 a.u.的HOMO能量的计算出的反离子分子轨道的计数阴离子。
• Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1
  申请人：Amgen, Inc.

  公开号：US07253196B2

  公开（公告）日：2007-08-07

  The present invention relates to compounds with the formula (I), (II), (III) or (IV): wherein R1, R2, R3, R4, R5, R6, R7, X and Z are as defined herein, and also to pharmaceutical compositions comprising the compounds, as well as methods of use of the compounds for treatment of disorders associated with human 11-β-hydroxysteroid dehydrogenase type 1 enzyme and for the preparation of a medicament which acts on the human 11-β-hydroxysteroid dehydrogenase type 1 enzyme.

  本发明涉及公式（I），（II），（III）或（IV）的化合物： 其中R1，R2，R3，R4，R5，R6，R7，X和Z如定义所述，并且还涉及包含该化合物的制药组合物，以及使用该化合物治疗与人类11-β-羟基类固醇脱氢酶类型1酶相关的疾病的方法，以及用于制备作用于人类11-β-羟基类固醇脱氢酶类型1酶的药物。
• Src kinase inhibitor compounds
  申请人：Merck & Co., Inc.

  公开号：US06498165B1

  公开（公告）日：2002-12-24

  Pyrimidine compounds (Formula I), or their pharmaceutically acceptable salts, hydrates, solvates, crystal forms and individual diastereomers, and pharmaceutical compositions including the same, which are inhibitors of tyrosine kinase enzymes, and as such are useful in the prophylaxis and treatment of protein tyrosine kinase-associated disorders, such as immune diseases, hyperproliferative disorders and other diseases in which inappropriate protein kinase action is believed to play a role, such as cancer, angiogensis, atheroscelerosis, graft rejection, rheumatoid arthritis and psoriasis.

  嘌呤类化合物（I式），或其药学上可接受的盐、水合物、溶剂化物、晶体形式和单一对映体，以及包括它们的制药组合物，它们是酪氨酸激酶酶抑制剂，因此在预防和治疗蛋白酪氨酸激酶相关疾病方面非常有用，如免疫性疾病、增生性疾病和其他不适当的蛋白激酶作用被认为起作用的疾病，如癌症、血管生成、动脉硬化、移植排斥、类风湿性关节炎和银屑病。
• FUSED HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：TAKAHASHI Masaki

  公开号：US20120178779A1

  公开（公告）日：2012-07-12

  A fused heterocyclic compound of formula (1): wherein, A 1 and A 2 represent a nitrogen atom or the like, R 1 , R 2 , R 3 and R 4 represent a halogen atom or the like, R 2 and R 3 represent a halogen atom or the like, R 5 represents a C1-C6 chain hydrocarbon group optionally substituted with one or more halogen atoms, or the like, R 6 and R 7 represent a C1-C4 chain hydrocarbon group substituted with one or more halogen atoms, or the like, and n represents 0 or 1, has an excellent noxious arthropod controlling effect.

  公式（1）所示的融合杂环化合物：其中，A1和A2表示氮原子或类似物，R1、R2、R3和R4表示卤素原子或类似物，R2和R3表示卤素原子或类似物，R5表示C1-C6链烃基，可选地被一个或多个卤素原子或类似物取代，R6和R7表示被一个或多个卤素原子或类似物取代的C1-C4链烃基，n表示0或1，具有优异的有害节肢动物控制效果。