hexyl(4-methoxyphenyl)sulfane | 59693-90-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: hexyl(4-methoxyphenyl)sulfane
• 英文别名: hexyl 4-methoxyphenyl sulfide；hexan-1-yl(4-methoxyphenyl)sulfane；n-Hexyl-p-methoxyphenylsulfid；n-hexyl 4-methoxyphenyl sulfide；1-hexylmercapto-4-methoxy-benzene；1-Hexylmercapto-4-methoxy-benzol；Hexyl-(4-methoxy-phenyl)-sulfid；n-hexyl p-methoxyphenyl sulfide；1-Hexylsulfanyl-4-methoxybenzene
• CAS: 59693-90-2
• 化学式: C₁₃H₂₀OS
• 分子量: 224.367
• InChiKey: RIEYWUMDZQPODX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  hexyl(4-methoxyphenyl)sulfane 在 氢溴酸 、 溶剂黄146 作用下， 生成 4-(hexylthio)phenol
  参考文献：
  名称：

  Assessing the Impact of Differential Measurement Error on Estimates of Fine Particle Mortality

  摘要：

  In air pollution epidemiology, error in measurements of correlated pollutants has been advanced as a reason to distrust regressions that find statistically significant weak associations. Much of the related debate in the literature and elswhere has been qualitative. To promote quantitative evaluation of such errors, this paper develops an air pollution time-series model based on correlations among unit-normal variables. Assuming there are no other sources of bias present, the model shows the expected amount of relative bias in the regression coefficients df a bivariate regression of coarse and fine particulate matter measurements on daily mortality. The model only requires information on instrumental error and spatial variability, along with the observed regression coefficients and information on the true fine-course correlation. Analytical results show that if one pollutant is truly more harmful than the other, then it must be measured more precisely than the other in order not to bias the ratio of the fine and course regression coefficients. Utilizing published data, a case study of the Harvard Six-Cities study illustrates use of the model and emphasizes the need for data on spatial variability across the study area. Current epidemiology time-series regressions can use this model to address the general concern of correlated pollutants with differing measurement errors.

  DOI：

  10.1080/10473289.2000.10463988
• 作为产物：
  描述：

  苯硫酚 生成 hexyl(4-methoxyphenyl)sulfane
  参考文献：
  名称：

  NOSE ATSUKO; KUDO TADAHIRO, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR. , 1976, 96+

  摘要：

  DOI：

文献信息

• Direct C–H Thiolation for Selective Cross-Coupling of Arenes with Thiophenols via Aerobic Visible-Light Catalysis
  作者：Ge Liang、Jing-Hao Wang、Tao Lei、Yuan-Yuan Cheng、Chao Zhou、Ya-Jing Chen、Chen Ye、Bin Chen、Chen-Ho Tung、Li-Zhu Wu

  DOI：10.1021/acs.orglett.1c03090

  日期：2021.10.15

  An aerobic metal-free, visible-light-induced regioselective thiolation of phenols with thiophenols is reported. The cross-coupling protocol exhibits great functional group tolerance and high regioselectivity. Mechanistic studies reveal that the disulfide radical cation plays a crucial role in the visible-light catalysis of aerobic thiolation. Simply controlling the equivalent ratio of substrates enables

  报道了一种无氧金属、可见光诱导的苯酚与苯硫酚的区域选择性硫醇化反应。交叉偶联方案表现出良好的官能团耐受性和高区域选择性。机理研究表明，二硫化物自由基阳离子在有氧硫醇化的可见光催化中起着至关重要的作用。简单地控制底物的当量比，可以在一锅反应中选择性地形成具有高活性的硫化物或亚砜产物。
• Selective oxidation of sulfides and oxidative bromination of organic substrates catalyzed by polymer anchored Cu(II) complex
  作者：S.M. Islam、Anupam Singha Roy、Paramita Mondal、Kazi Tuhina、Manir Mobarak、John Mondal

  DOI：10.1016/j.tetlet.2011.10.138

  日期：2012.1

  A new polymer-anchored Cu(II) complex has been synthesized and characterized. The catalytic performance of the complex has been tested for the oxidation of sulfides and in oxidative bromination reaction with hydrogen peroxide as the oxidant. Sulfides have been selectively oxidized to the corresponding sulfoxides in excellent yields and in the presence of KBr as the bromine source, organic substrates

  合成并表征了一种新的聚合物锚定的Cu（II）配合物。已经测试了该配合物的催化性能，用于硫化物的氧化和以过氧化氢为氧化剂的氧化溴化反应。硫化物已经以极好的收率选择性地氧化为相应的亚砜，并且在溴化钾作为溴源的情况下，已使用聚合物固定的Cu（II）催化剂将有机底物选择性地转化为单溴取代的化合物。该催化剂表现出优异的催化活性，高选择性和可回收性。聚合物锚定的Cu（II）催化剂可通过过滤轻松回收，并重复使用五次以上，而不会损失其初始活性。
• Manganese-Catalyzed Cross-Coupling of Thiols with Aryl Iodides
  作者：Tsung-Jui Liu、Chih-Lun Yi、Chien-Ching Chan、Chin-Fa Lee

  DOI：10.1002/asia.201300045

  日期：2013.5

  A manganese‐catalyzed cross‐coupling reaction of thiols with aryl iodides, furnishing aryl thioethers in good to excellent yields has been reported; the system shows good functional group tolerance and enables the sterically demanding aryl iodides to couple with thiols.

  据报道，硫醇与芳基碘化物进行锰催化的交叉偶联反应，可以提供高至优收率的芳基硫醚。该系统显示出良好的官能团耐受性，并使空间要求苛刻的芳基碘化物能够与硫醇偶联。
• Alkyl- and Arylthiodediazoniations of Dry Arenediazonium <i>o</i>-Benzenedisulfonimides. Efficient and Safe Modifications of the Stadler and Ziegler Reactions to Prepare Alkyl Aryl and Diaryl Sulfides
  作者：Margherita Barbero、Iacopo Degani、Nicola Diulgheroff、Stefano Dughera、Rita Fochi、Mara Migliaccio

  DOI：10.1021/jo0003347

  日期：2000.9.1

  yields were obtained only when sterically hindered diazonium salts or thiols were used. A good amount of the o-benzenedisulfonimide (8) was always recovered from the reactions and could be reused to prepare salts 1. The copious experimental data collected in homogeneous conditions have offered several starting points for the study of the mechanism of these reactions.

  在无水甲醇中，干燥的苯二氮杂鎓邻苯二磺酰亚胺1与硫醇钠之间的反应代表了一种有效且安全的方法，具有一般有效性，可用于制备未官能化或不同官能度的烷基芳基和二芳基硫化物。通常，对于烷基硫代重氮基化反应，反应温度维持在0-5℃，对于芳基硫代重氮基化反应，反应温度保持在室温（20-25℃）。硫化物的收率通常很高；在所考虑的63个实例中，有43个的产率大于80％，而13个的产率在70％至80％之间。仅当使用位阻重氮盐或硫醇时，收率较低。始终从反应中回收大量的邻苯二磺酰亚胺（8），可将其重新用于制备盐1。
• Copper catalyzed oxidation of sulfides to sulfoxides with aqueous hydrogen peroxide
  作者：Subbarayan Velusamy、Akkilagunta V. Kumar、Rakesh Saini、T. Punniyamurthy

  DOI：10.1016/j.tetlet.2005.03.194

  日期：2005.5

  Copper(II) complex 1 catalyzes the oxidation of sulfides to sulfoxides with 30% H2O2 in high yields. Addition of a catalytic amount of TEMPO to the reaction mixture enhances the conversion and selectivity. Complex 1 can be recycled without loss of activity.

  铜（II）配合物1以高收率催化硫化物氧化为30％H 2 O 2的亚砜。向反应混合物中加入催化量的TEMPO可提高转化率和选择性。配合物1可以循环使用而不会损失活性。