3-phenylsulfanylpropionic acid 2-ethylhexyl ester

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-phenylsulfanylpropionic acid 2-ethylhexyl ester
• 英文别名: 2-ethylhexyl 3-phenylsulfanylpropionate；2-Ethylhexyl 3-phenylsulfanylpropanoate
• 化学式: C₁₇H₂₆O₂S
• 分子量: 294.458
• InChiKey: QNXXTRZZWJKBMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-巯基丙酸-2-乙己酯 、 苯基三氟甲烷磺酸酯 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， 以90%的产率得到3-phenylsulfanylpropionic acid 2-ethylhexyl ester
  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

• [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。
• Therapeutic Compounds and Their Use in Treating Diseases and Disorders
  申请人：Bajji Ashok C.

  公开号：US20100292255A1

  公开（公告）日：2010-11-18

  The invention provides novel therapeutic compounds, pharmaceutical compositions comprising these compounds, and methods for using these compounds and compositions to treat diseases and disorders, such as cancer.

  该发明提供了新型治疗化合物、包含这些化合物的药物组合物以及使用这些化合物和组合物治疗疾病和疾病的方法，例如癌症。
• METHOD FOR PRODUCING THIOETHER COMPOUND
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1806337A1

  公开（公告）日：2007-07-11

  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 Pd2(dba)3, a base such as i-Pr2NEt and a phosphorus compound represented by the following formula [AA].

  本发明公开了一种用于商业化生产硫醚化合物或硫醇化合物的高效且广泛适用的方法，硫醚化合物或硫醇化合物可用作药物化合物或其生产中间体。具体地说，本发明公开了一种生产以下通式[I]代表的硫醚化合物或其盐的方法。该方法的特征在于由以下通式[III]代表的化合物：[III]（其中 X 代表溴原子、氯原子或三氟甲基磺酰氧基，环 A 代表芳基或杂芳基环基）或其盐与下 列通式[II]代表的硫醇化合物反应：[II]或其盐在钯化合物如 Pd2(dba)3、碱如 i-Pr2NEt 和下式[AA]代表的磷化合物存在下反应。
• EP1806337
  申请人：——

  公开号：——

  公开（公告）日：——