2-(phenylthio)benzenethiol | 53691-60-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(phenylthio)benzenethiol
• 英文别名: 2-phenylsulfanylthiophenol；2-Phenylmercapto-phenylmercaptan；Benzenethiol, 2-(phenylthio)-；2-phenylsulfanylbenzenethiol
• CAS: 53691-60-4
• 化学式: C₁₂H₁₀S₂
• 分子量: 218.343
• InChiKey: CGLLZUFSSPGFID-UHFFFAOYSA-N

物化性质

• 沸点：
  146-148 °C
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(phenylthio)benzenethiol 、 2-氯苯甲醛 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-(phenylthio)phenylthio)benzaldehyde
  参考文献：
  名称：

  Metal-organic chains constructed from pre-organized N2S2 donor ligands

  摘要：

  Three new N2S2 donor ligands 1,1'-((2-(2-(phenylthio)phenylthio)phenyl)methylene)bis(3,5-R-1H-pyrazole), R = H (L-H), R = Me (L-Me), R = i-Pr (Li-Pr) have been prepared and characterized, These bifunctional ligands incorporate two distinct chelate donor systems, by virtue of the presence of bispyrazole and bis-thioether functions. The preferred conformation of these ligands is such that the N-2 and S-2 donor moieties may be oriented in opposite directions, thus favoring the formation of molecular chains when treated with AgBF4. The X-ray structures of Ag(I) complexes show that, depending on the steric hindrance present on the pyrazole rings, these ligands behave as kappa(4)-SSNN-mu bridging tetradentate (when R = H), or kappa(3)-SNN-mu bridging tridentate (when R = Me, i-Pr). Interestingly, [Ag(L-H)]BF4 crystallizes in the chiral space group P4(1), with the molecular chain that is folded around the 4(1) screw axis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.05.073
• 作为产物：
  描述：

  噻蒽 在 lithium 、 水 作用下， 以 四氢呋喃 为溶剂， 以98%的产率得到2-(phenylthio)benzenethiol
  参考文献：
  名称：

  4-杂取代二苯并噻吩的 DTBB 催化锂化

  摘要：

  DTBB 催化的 4-杂取代二苯并噻吩（吩氧噻吩、吩噻嗪和噻蒽）锂化得到相应的官能化有机锂中间体，通过与不同的亲电试剂反应得到预期的官能化硫醇。一些醇化合物衍生物的环化得到相应的同源七元二苯并杂环。

  DOI：

  10.1246/cl.2002.726

文献信息

• Dibenzothiepins, phthalans and phthalides from 4-heterosubstituted dibenzothiins
  作者：Miguel Yus、Francisco Foubelo、José V Ferrández

  DOI：10.1016/s0040-4020(03)00210-2

  日期：2003.3

  thiols 2 under acidic conditions leads to the corresponding seven-membered dibenzo heterocycles 5. In the case of thianthrene 1c, after addition of a carbonyl compound as the first electrophile [MeCHO, ButCHO, Me2CO, Et2CO, (CH2)5CO], the corresponding intermediate II can be lithiated again and react with a second electrophile. Diols 3 are obtained after hydrolysis when a carbonyl compound [ButCHO, PhCHO

  在-90至-78的温度范围内，4-锂取代的4-杂取代的二苯并噻吩1（吩沙丁星，吩噻嗪和噻吩）与锂和催化量的4,4'-二叔丁基联苯（DTBB，7.5％摩尔）在锂中的锂化℃，得到相应的官能化有机锂中间体我，其通过与不同的亲电子反应[H 2 O，d 2 O，卜吨CHO，苯甲醛中，Ph（CH 2）2 CHO中，Me 2 CO，等2 CO，（CH 2）5一氧化碳，（CH 2）7CO]在相同温度下进行水解，得到预期的官能化硫醇2。一些硫醇2在酸性条件下的环化反应会导致相应的七元二苯并杂环5。在噻吨1c的情况下，在添加羰基化合物作为第一亲电子试剂后[MeCHO，But CHO，Me 2 CO，Et 2 CO，（CH 2）5 CO]，相应的中间体II可以再次锂化并反应第二个亲电试剂。二醇3被水解时的羰基化合物[卜后得到吨CHO，苯甲醛中，Ph（CH2）2 CHO，Me 2 CO，Et 2 CO，（CH 2）5
• Morpholine derivatives
  申请人：Walter Wilhelm Magnus

  公开号：US20060035894A1

  公开（公告）日：2006-02-16

  Compounds of formula (I): wherein A is S or O; R is H; Ar is an optionally substituted phenyl group; X is an optionally substituted phenyl group, a C 1 -C 4 alkyl, a C 3 -C 6 cycloalkyl group or a CH 2 (C 3 -C 6 cycloalkyl) group; R′ is H or C 1 -C 4 alkyl; and each R 1 is independently H or C 1 -C 4 alkyl; and pharmaceutically acceptable salts thereof are selective inhibitors of norepinephrine reuptake.

  分子式为（I）的化合物：其中A为S或O；R为H；Ar为可选取代的苯基；X为可选取代的苯基、C1-C4烷基、C3-C6环烷基或CH2（C3-C6环烷基）基；R'为H或C1-C4烷基；每个R1独立地为H或C1-C4烷基；以及其药物可接受的盐是去甲肾上腺素再摄取的选择性抑制剂。
• Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same
  申请人：Kajino Hisaki

  公开号：US20090023929A1

  公开（公告）日：2009-01-22

  A method for preparing a compound having the following formula (I) by reducing a nitro group of the following formula (III) followed by carrying out an intramolecular dehydration condensation, wherein R 2 is hydrogen, alkyl, cycloalkyl, phenyl or a 5- or 6-membered heterocyclic, and X is oxygen, sulfur or nitrogen.

  一种制备具有以下化学式（I）的化合物的方法，包括还原以下化学式（III）的硝基，然后进行分子内脱水缩合反应，其中R2是氢、烷基、环烷基、苯基或5-或6-成员杂环基，X是氧、硫或氮。
• Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same
  申请人：Kajino Hisaki

  公开号：US20100234612A1

  公开（公告）日：2010-09-16

  A compound having the following formula (III) wherein R 2 is hydrogen, alkyl, cycloalkyl, phenyl or a 5- or 6-membered heterocyclic, and X is oxygen, sulfur or nitrogen, and a method for preparing said compound.

  一种具有以下式子（III）的化合物，其中R2是氢、烷基、环烷基、苯基或5-或6-成员杂环，X是氧、硫或氮，以及制备该化合物的方法。
• Palladium-catalyzed direct C–H thiolation of 2-pyridyl sulfoxide with disulfides
  作者：Mamta Yadav、Bibek Sarma、Ram Singh Jat、M. Bhanuchandra

  DOI：10.1039/d2nj01977a

  日期：——

  Palladium-catalyzed C–H thiolation of aryl 2-pyridyl sulfoxide with diaryl disulfides has been achieved. The reaction proceeds selectively at the ortho-position of masked thiophenol. The directing group 2-pyridyl sulfoxide can be further converted to various sulfur functionalities through conventional reduction/oxidation processes. Kinetic isotopic studies and radical quenching experiments were performed

  钯催化的芳基 2-吡啶基亚砜与二芳基二硫化物的 C-H 硫醇化已经实现。该反应选择性地在掩蔽苯硫酚的邻位进行。导向基团2-吡啶基亚砜可以通过常规的还原/氧化过程进一步转化为各种硫官能团。进行了动力学同位素研究和自由基猝灭实验以了解反应机理。