2-(对甲苯硫代)-乙醇 | 13290-16-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-(对甲苯硫代)-乙醇
• 英文名称: 2-(p-tolylthio)-ethanol
• 英文别名: Ethanol, 2-[(4-methylphenyl)thio]-；2-(4-methylphenyl)sulfanylethanol
• CAS: 13290-16-9
• 化学式: C₉H₁₂OS
• mdl: MFCD00020613
• 分子量: 168.26
• InChiKey: KYCQIPSCAOIEKN-UHFFFAOYSA-N

物化性质

• 沸点：
  282-283 °C
• 密度：
  1.1114 g/cm3(Temp: 17 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-(对甲苯硫代)-乙醇 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 4-甲苯硫酚
  参考文献：
  名称：

  铜（II）催化由芳基卤化物和1,2-乙二硫醇合成芳基硫醇

  摘要：

  利用铜（II）催化剂和1,2-乙二硫醇开发了一种高效的过渡金属催化的从芳基卤化物单步合成芳基硫醇的方法。关键特征是使用现成的试剂，简单的操作以及相对温和的反应条件。该新协议显示了广泛的底物范围，具有出色的官能团相容性。由芳基卤化物直接以高收率制备各种芳基硫醇。此外，芳基硫醇原位用于合成更高级的分子，例如二芳基硫醚和苯并噻吩。

  DOI：

  10.1002/adsc.201400941
• 作为产物：
  描述：

  2-hydroxyethyl p-tolyl sulfoxide 在 N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 0.02h， 以90%的产率得到2-(对甲苯硫代)-乙醇
  参考文献：
  名称：

  A novel method for the reduction of sulfoxides with the N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide (TBBDA)/PPh3 system

  摘要：

  摘要 描述了一种使用N,N,N',N'-四溴苯-1,3-二磺酰胺[TBBDA]与三苯基膦结合的方法，将磺氧化物还原为硫化物。该方法具有良好至优异的产率、短反应时间、高效性和便捷的产物分离等优点。

  DOI：

  10.1016/j.crci.2013.11.006

文献信息

• [EN] COMPOSITIONS AND METHODS FOR SYNTHESIS OF PHOSPHORYLATED MOLECULES<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE SYNTHÈSE DE MOLÉCULES PHOSPHORYLÉES
  申请人：UNIV CALIFORNIA

  公开号：WO2019195494A1

  公开（公告）日：2019-10-10

  The invention provides compositions and methods for synthesis of phosphorylated organic compounds, including nucleoside triphosphates.

  这项发明提供了合成磷酸化有机化合物的组合物和方法，包括核苷三磷酸。
• 아릴 티올의 단일-단계 합성방법 및 이의 응용
  申请人：SUNGSHIN WOMEN`S UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION 성신여자대학교 연구 산학협력단(220060539816) BRN ▼209-82-08357

  公开号：KR20170076524A

  公开（公告）日：2017-07-04

  본 발명은 아릴 티올의 단일-단계 합성방법에 관한 것으로, 더욱 상세하게는 전이금속 촉매 존재 하에서 아릴 할라이드와 알칸다이티올을 반응시켜 단일-단계로 아릴 티올을 합성하는 방법에 관한 것이다. 본 발명에 따르면, 아릴 할라이드로부터 아릴 티올을 높은 수율로 합성할 수 있는, 전이 금속 촉매를 이용한 단일-단계 합성 방법을 제공할 수 있다. 상기 합성 방법에는 다양한 아릴 할라이드를 적용할 수 있다. 또한 쉽게 사용 가능한 시약을 이용할 수 있고, 조작이 간단할 뿐만 아니라, 마일드한 조건에서 반응을 수행할 수 있는 장점이 있다. 아울러 합성된 아릴 티올은 다이아릴 설파이드(diaryl sulfides), 벤조티오펜(benzothiophenes)과 같은 고급 분자(advanced molecules)의 합성에 이용될 수 있다.

  本发明涉及对芳基硫醇的单步合成方法，更详细地说，在过渡金属催化剂存在的情况下，涉及一种通过芳基卤化物和烷二硫醇在单步反应中合成芳基硫醇的方法。根据本发明，可以提供一种利用过渡金属催化剂从芳基卤化物高产率合成芳基硫醇的单步合成方法。该合成方法可以应用于各种芳基卤化物。此外，该方法具有使用方便的试剂，操作简单，且在温和条件下进行反应的优点。此外，合成的芳基硫醇可用于合成二芳基硫醚(diaryl sulfides)、苯并噻吩(benzothiophenes)等高级分子。
• Elimination and addition reactions. Part 30. Leaving group abilities in alkene-forming eliminations activated by sulphonyl groups
  作者：Donald R. Marshall、Patsy J. Thomas、Charles J. M. Stirling

  DOI：10.1039/p29770001898

  日期：——

  Rates of elimination of the group Z from a series of β-substituted sulphones, PhSO2·CH2·CH2Z, in ethanolic sodium ethoxide at 25 °C have been measured. For each substrate, the mechanism of the reaction has been shown to be the reversible carbanion mechanism [(E1cB)R] by determination of the primary kinetic deuterium isotope effect or by demonstration that deuterium-hydrogen exchange at Cβ is very much

  在25°C的乙醇乙醇钠中，已测定了从一系列β-取代的砜PhSO 2 ·CH 2 ·CH 2 Z中消除Z基团的速率。对于每个基板，所述反应的机理已被证明是可逆碳负离子机构[（ë 1 CB）- [R ]通过测定的主动力学氘同位素效应或通过示范其中C氘-氢交换β是非常快比消除。
• OXIME ESTER
  申请人：Nishimae Yuichi

  公开号：US20130188270A1

  公开（公告）日：2013-07-25

  Compounds of the formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 for example independently of each other are hydro-gen, C 1 -C 20 alkyl, (II), COR 16 or NO 2 , provided that at least one pair of R 1 and R 2 , R 2 and R 3 , R 3 and R 4 , R 5 and R 6 , R 6 and R 7 , or R 7 and R 8 is (III); R 9 , R 10 , R 11 and R 12 for example independently of each other are hydrogen, C 1 -C 20 alkyl which optionally substituted; or R 9 , R 10 , R 11 , and R 12 independently of each other are unsubstituted or substituted phenyl; X is CO or a direct bond; R 13 is for example C 1 -C 20 alkyl which optionally is substituted, C 2 -C 12 alkenyl, C 4 -C 8 cycloalkenyl, C 2 -C 12 alkinyl, C 3 -C 10 -cycloalkyl, phenyl or naphthyl both of which are optionally substituted; R 14 is for example hydrogen, C 3 -C 8 cycloalkyl, C 2 -C 5 alkenyl, C 1 -C 20 alkoxy, C 1 -C 20 alkyl, phenyl or naphthyl; R 15 is for example C 6 -C 20 aryl or C 5 -C 20 heteroaryl; R 16 is for example C 6 -C 20 aryl which is unsubstituted or substituted by one or more C 1 -C 20 alkoxy or C 1 -C 20 alkyl; are in particular suitable as photoinitiators for color filter applications.

  式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8，例如独立地是氢、C1-C20烷基、(II)、COR16或NO2，条件是至少有一对R1和R2、R2和R3、R3和R4、R5和R6、R6和R7或R7和R8是(III)；R9、R10、R11和R12，例如独立地是氢、C1-C20烷基，可选择地被取代；或者R9、R10、R11和R12独立地是未取代或取代的苯基；X是CO或直接键；R13，例如C1-C20烷基，可选择地被取代，C2-C12烯基，C4-C8环烯基，C2-C12炔基，C3-C10环烷基，苯基或者萘基，两者可选择地被取代；R14，例如氢，C3-C8环烷基，C2-C5烯基，C1-C20烷氧基，C1-C20烷基，苯基或者萘基；R15，例如C6-C20芳基或C5-C20杂芳基；R16，例如C6-C20芳基，未取代或被一个或多个C1-C20烷氧基或C1-C20烷基取代；特别适用于彩色滤光片应用的光引发剂。
• [EN] OXIME ESTER DERIVATIVES OF BENZOCARBAZOLE COMPOUNDS AND THEIR USE AS PHOTOINITIATORS IN PHOTOPOLYMERIZABLE COMPOSITIONS<br/>[FR] DÉRIVÉS ESTER D'OXIME DE BENZOCARBAZOLES ET LEUR UTILISATION COMME PHOTOINITIATEURS DANS DES COMPOSITIONS PHOTOPOLYMÉRISABLES
  申请人：BASF SE

  公开号：WO2012045736A1

  公开（公告）日：2012-04-12

  Compounds of the formula (I), wherein R1, R2, R3, R4, R5, R6, R7 and R8 for example independently of each other are hydro- gen, C1-C20alkyl, (II), COR16 or NO2, provided that at least one pair of R1 and R2, R2 and R3, R3 and R4, R5 and R6, R6 and R7, or R7 and R8 is (III); R9, R10, R11 and R12 for example independently of each other are hydrogen, C1-C20alkyl which optionally substituted; or R9, R10, R11, and R12 independently of each other are unsubstituted or substituted phenyl; X is CO or a direct bond; R13 is for example C1-C20alkyl which optionally is substituted, C2-C12alkenyl, C4- C8cycloalkenyl, C2-C12alkinyl, C3-C10cycloalkyl, phenyl or naphthyl both of which are optionally substituted; R14 is for example hydrogen, C3-C8cycloalkyl, C2-C5alkenyl, C1-C20alkoxy, C1-C20alkyl, phenyl or naphthyl; R15 is for example C6-C20aryl or C5-C20heteroaryl; R16 is for example C6-C20aryl which is unsubstituted or substituted by one or more C1-C20alkoxy or C1-C20alkyl; are in particular suitable as photoinitiators for color filter applications.

  式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8例如彼此独立地为氢、C1-C20烷基、(II)、COR16或NO2，前提是至少有一对R1和R2、R2和R3、R3和R4、R5和R6、R6和R7或R7和R8为(III)；R9、R10、R11和R12例如彼此独立地为氢、C1-C20烷基，可以选择地取代；或者R9、R10、R11和R12彼此独立地为未取代或取代的苯基；X为CO或直接键；R13例如为C1-C20烷基，可以选择地取代，C2-C12烯基，C4-C8环烯基，C2-C12炔基，C3-C10环烷基，苯基或萘基，两者均可以选择地取代；R14例如为氢、C3-C8环烷基、C2-C5烯基、C1-C20烷氧基、C1-C20烷基、苯基或萘基；R15例如为C6-C20芳基或C5-C20杂芳基；R16例如为未取代或取代的C6-C20芳基，其取代基为一个或多个C1-C20烷氧基或C1-C20烷基；特别适用于彩色滤光片应用的光引发剂。