3-((trifluoromethyl)thio)benzamide | 331-28-2

• 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: 3-((trifluoromethyl)thio)benzamide
• 英文别名: 3-Trifluormethylmercapto-benzoesaeureamid；m-[(trifluoromethyl)thio]benzamide；3-(Trifluoromethylthio)benzamide；3-(trifluoromethylsulfanyl)benzamide
• CAS: 331-28-2
• 化学式: C₈H₆F₃NOS
• 分子量: 221.203
• InChiKey: WZONMKGSFVHSHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(三氟甲硫基)苯胺 在 硫酸 作用下， 生成 3-((trifluoromethyl)thio)benzamide
  参考文献：
  名称：

  Yagupol'skii,L.M.; Gruz,B.E., Journal of general chemistry of the USSR, 1961, vol. 31, p. 1219 - 1223

  摘要：

  DOI：

文献信息

• Copper-catalyzed synthesis of aryl and alkyl trifluoromethyl sulfides using CF3SiMe3 and Na2S2O3 as –SCF3 source
  作者：Wei Zhong、Xiaoming Liu

  DOI：10.1016/j.tetlet.2014.07.039

  日期：2014.8

  universal and efficient Cu(I)-catalyzed synthesis of aryl and alkyl trifluoromethyl sulfides has been developed. In this catalytic system, S-aryl or S-alkyl sulfothioate (I or II) proved to be the key intermediate. Substrates bearing groups of I, Br, Cl, OTs, and OMs on the aryl carbon and no matter electron-withdrawing and electron-donating substitutions on the aromatic ring could afford good to excellent

  已经开发出通用且有效的Cu（I）催化的芳基和烷基三氟甲基硫醚的合成方法。在该催化体系中，S-芳基或S-烷基磺基硫酸酯（Ⅰ或Ⅱ）被证明是关键的中间体。在芳基碳上带有I，Br，Cl，OTs和OMs的基团的基团，无论芳环上有吸电子和供电子取代基，都可以提供优异的良率。
• Copper-Catalyzed Oxidative Trifluoromethylthiolation of Aryl Boronic Acids with TMSCF3 and Elemental Sulfur
  作者：Chao Chen、Yan Xie、Lingling Chu、Ruo-Wen Wang、Xingang Zhang、Feng-Ling Qing

  DOI：10.1002/anie.201108663

  日期：2012.3.5

  Fluorinated functionality: The copper‐catalyzed oxidative trifluoromethylthiolation of aryl boronic acids with TMSCF3 and elemental sulfur at room temperature is described for the first time. This reaction provides a concise and efficient method for the synthesis of aryl trifluoromethyl thioethers (ArSCF3) under mild conditions. Phen=Phenanthroline.

  氟化功能：首次描述了室温下铜与芳基硼酸与TMSCF 3和元素硫的氧化三氟甲基硫醇化反应。该反应提供了在温和条件下合成芳基三氟甲基硫醚（ArSCF 3）的简洁有效的方法。苯酚=菲咯啉。
• HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES
  申请人：Olesen Preben Houlberg

  公开号：US20100041657A1

  公开（公告）日：2010-02-18

  The present invention relates to compounds of formula I, in which at least one of R5, R6 and R7 is SR12, S(O)R12 or S(O)2R12 group where R12 is a C1-6haloalkyl group, that act, as chemical uncouplers. Compounds of the invention are useful in the treatment, including prevention, of obesity, diabetes and a number of diseases or conditions associated therewith.

  本发明涉及公式I的化合物，其中R5，R6和R7中至少有一个是SR12，S（O）R12或S（O）2R12基团，其中R12是C1-6卤代烷基基团，可作为化学解偶联剂。本发明的化合物在治疗，包括预防肥胖症，糖尿病以及与之相关的许多疾病或病况方面非常有用。
• BENZOQUINAZOLINE DERIVATIVES
  申请人：Ammon Sandra

  公开号：US20100166765A1

  公开（公告）日：2010-07-01

  A compound of formula (I) or a pharmaceutically acceptable salt or prodrug ester thereof, wherein the groups R2, R3, R4, Q, X and Y are as defined in the specification, is useful in the treatment of bone conditions related to increased calcium depletion or resorption.

  式(I)的化合物或其药学上可接受的盐或前药酯，其中基团R2、R3、R4、Q、X和Y的定义在说明书中，可用于治疗与钙流失或吸收增加有关的骨疾病。
• Pharmaceutical compositions comprising a calcilytic agent
  申请人：Novartis AG

  公开号：EP1964548A1

  公开（公告）日：2008-09-03

  Provided is a pharmaceutical composition comprising a calcilytic agent which, when administered orally to a subject induces a rapid and short-lasting absorption of the calcilytic agent and/or a rapid and short-lasting release of the parathyroid hormone.

  本发明提供了一种药物组合物，其中包含一种降钙剂，当口服给受试者服用时，该药物组合物能诱导降钙剂的快速、短暂吸收和/或甲状旁腺激素的快速、短暂释放。