1-(1-methylethyl)-2-(phenylthio)benzene | 87415-48-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(1-methylethyl)-2-(phenylthio)benzene
• 英文别名: phenyl 2-isopropylphenyl sulfide；2-isopropylphenyl-phenylsulfide；2-isopropylphenyl phenyl sulfide；isopropyl phenyl sulfide；1-Phenylsulfanyl-2-propan-2-ylbenzene
• CAS: 87415-48-3
• 化学式: C₁₅H₁₆S
• 分子量: 228.358
• InChiKey: CONQYLAHNNJWHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  133-134 °C(Press: 1 Torr)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(1-methylethyl)-2-(phenylthio)benzene 、 双氧水 以96%的产率得到
  参考文献：
  名称：

  SAGINOVA, L. G.;PISANOVA, E. V.;SHABAROV, YU. S., ZH. ORGAN. XIMII, 1983, 19, N 5, 1090-1097

  摘要：

  DOI：
• 作为产物：
  描述：

  溴苯 、 2-异丙基苯硫酚 在 tris(dibenzylideneacetone)dipalladium (0) N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以88%的产率得到1-(1-methylethyl)-2-(phenylthio)benzene
  参考文献：
  名称：

  芳基溴化物/三氟甲磺酸酯和硫醇的一般钯催化偶联。

  摘要：

  我们已经开发了一种有效的钯催化的芳基溴化物，三氟甲磺酸酯和活化的芳基氯的碳硫键形成反应。使用此协议，我们显示了对多种芳基硫醇和烷基硫醇的耐受性，这些芳族硫醇和烷基硫醇也可用作硫化物的等同物。[反应：看文字]

  DOI：

  10.1021/ol047996t

文献信息

• Oxidoreductive coupling of thiols with aryl halides catalyzed by copper on iron
  作者：Szabolcs Kovács、Zoltán Novák

  DOI：10.1039/c0ob00397b

  日期：——

  Synthesis and utilization of a simple copper on iron catalyst in the coupling of aryl halides with thiols through disulfide intermediate is reported. The iron support of copper catalyst ensures reductive media for the coupling, allows easy removal of the metals by outer magnetic field and enables the recycling of the catalyst.

  报道了一种简单的铜铁催化剂在芳基卤化物与硫醇通过二硫化物中间体偶联中的合成和应用。铜催化剂的铁载体确保了偶联反应的还原介质，便于通过外部磁场去除金属，从而实现催化剂的回收利用。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20210292351A1

  公开（公告）日：2021-09-23

  Disclosed are platinum or palladium complexes featuring tetradentate ligands with at least one side that has an NN binding motif are disclosed. The disclosed organometallic compounds have a structure of where M is Pt or Pd. Also provided are formulations comprising these organometallic compounds. Further provided are OLEDs and related consumer products that utilize these organometallic compounds.

  公开了具有至少一个具有NN结合基团的四齿配体的铂或钯配合物。所述的有机金属化合物具有以下结构，其中M为Pt或Pd。还提供了包含这些有机金属化合物的配方。还提供了利用这些有机金属化合物的OLED和相关消费产品。
• [EN] METHOD FOR PRODUCING THIOETHER COMPOUND<br/>[FR] MÉTHODE DE SYNTHÈSE D'UN COMPOSÉ DE TYPE THIOÉTHER
  申请人：BANYU PHARMA CO LTD

  公开号：WO2006038741A1

  公开（公告）日：2006-04-13

  Disclosed is an efficient and widely-applicable method for commercially producing a thioether compound or a thiol compound which is useful as a pharmaceutical product or a production intermediate of a pharmaceutical product. Specifically disclosed is a method for producing a thioether compound represented by the general formula [I] below or a salt thereof. This method is characterized in that a compound represented by the following general formula [III]: [III] (wherein X represents a bromine atom, a chlorine atom or a trifluoromethylsulfonyloxy group, and ring A represents an aryl group or a heteroaryl ring group) or a salt thereof is reacted with a thiol compound represented by the following general formula [II]: [II] or a salt thereof in the presence of a palladium compound such as Pd2(dba)3, a base such as i-Pr2NEt and a phosphorus compound represented by the following formula [AA].

  公开了一种高效且广泛适用的方法，用于商业生产一种硫醚化合物或巯基化合物，该化合物可用作药物产品或药物产品的生产中间体。具体公开了一种生产下述通用式[I]所代表的硫醚化合物或其盐的方法。该方法的特征在于，在钯化合物（例如Pd2(dba)3）、碱（例如i-Pr2NEt）和下述式[AA]所代表的磷化合物存在下，通过将下述通用式[III]所代表的化合物（其中X代表溴原子、氯原子或三氟甲磺酰氧基团，环A代表芳基或杂环芳基团）或其盐与下述通用式[II]所代表的巯基化合物或其盐反应来实现。
• Method For Producing Thioether Compound
  申请人：Itoh Takahiro

  公开号：US20080108823A1

  公开（公告）日：2008-05-08

  Disclosed is an efficient and widely-applicable method for commercially producing a thioether compound or a thiol compound which is useful as a pharmaceutical compound or a production intermediate of it. Specifically disclosed is a method for producing a thioether compound represented by the general formula [I] below or a salt thereof. This method is characterized in that a compound represented by the following general formula [III]:[III] (wherein X represents a bromine atom, a chlorine atom or a trifluoromethylsulfonyloxy group, and ring A represents an aryl group or a heteroaryl ring group) or a salt thereof is reacted with a thiol compound represented by the following general formula [II]:[II] or a salt thereof in the presence of a palladium compound such as Pd 2 (dba) 3 , a base such as i-Pr 2 NEt and a phosphorus compound represented by the following formula [AA].

  公开了一种高效且广泛适用的方法，用于商业生产一种硫醚化合物或硫醇化合物，该化合物可用作药物化合物或其生产中间体。具体公开了一种制备下述一般式[I]所代表的硫醚化合物或其盐的方法。该方法的特点在于，在钯化合物（如Pd2（dba）3）、碱（如i-Pr2NEt）和下述式[AA]所代表的磷化合物的存在下，将下述一般式[III]所代表的化合物（其中X代表溴原子、氯原子或三氟甲基磺酰氧基团，环A代表芳基或杂环环基）或其盐与下述一般式[II]所代表的硫醇化合物或其盐反应。
• Antimalarial Quinolines and Methods of Use Thereof
  申请人：Wolf Christian

  公开号：US20110045100A1

  公开（公告）日：2011-02-24

  One aspect of the invention relates to substitute quinolines with antimalarial activity, and compositions and kits comprising at least one of them. Another aspect of the invention relates to methods for the treatment or prevention or both of malaria comprising administering to a subject a therapeutically effective amount of such a compound. Importantly, a number of the compounds show excellent potency against both chloroquine-sensitive and chloroquine-resistant strains.

  本发明的一个方面涉及具有抗疟活性的替代喹啉，以及包含至少其中之一的组合物和试剂盒。另一个方面涉及用这种化合物向受试者施用治疗有效量的方法，以治疗或预防疟疾。重要的是，其中一些化合物对氯喹敏感和氯喹耐药菌株都表现出极高的效力。