1-(butylsulfanyl)-4-methoxybenzene | 78597-95-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(butylsulfanyl)-4-methoxybenzene
• 英文别名: butyl(4-methoxyphenyl)sulfane；butyl 4-methoxyphenyl sulfide；n-butyl 4-methoxyphenyl sulfide；1-butylsulfanyl-4-methoxybenzene
• CAS: 78597-95-2
• 化学式: C₁₁H₁₆OS
• 分子量: 196.313
• InChiKey: VRLFLNBBUBWJEV-UHFFFAOYSA-N

物化性质

• 沸点：
  120 °C(Press: 5 Torr)
• 密度：
  1.0303 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  1-(butylsulfanyl)-4-methoxybenzene 在 氢溴酸 、 溶剂黄146 作用下， 生成 4-Butylmercapto-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：

  1-(butylsulfinyl)-4-methoxybenzene 在 碘 、 sodium hydrogensulfite 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以90%的产率得到1-(butylsulfanyl)-4-methoxybenzene
  参考文献：
  名称：

  Efficient reduction of sulfoxides with NaHSO 3 catalyzed by I 2

  摘要：

  An efficient method for the deoxygenation of sulfoxides into their corresponding sulfides at room temperature using NaHSO3 in the presence of catalytic I-2 has been reported. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.10.035

文献信息

• A mild and efficient copper-catalyzed coupling of aryl iodides and thiols using an oxime–phosphine oxide ligand
  作者：Di Zhu、Lei Xu、Fan Wu、Boshun Wan

  DOI：10.1016/j.tetlet.2006.05.178

  日期：2006.8

  A mild and efficient copper-catalyzed system for the coupling of aryl iodides and thiols was developed using a readily prepared and highly stable oxime–phosphine oxide ligand. Good to excellent yields were obtained.

  使用易于制备且高度稳定的肟-氧化膦配体，开发了一种温和而有效的铜催化体系，用于芳基碘化物和硫醇的偶联。获得了良好的优良的收率。
• C-S cross-coupling of aryl halides with alkyl thiols catalyzed by in-situ generated nickel(II) N-heterocyclic carbene complexes
  作者：Fang-Jie Guo、Jing Sun、Zhao-Qing Xu、Fritz E. Kühn、Shu-Liang Zang、Ming-Dong Zhou

  DOI：10.1016/j.catcom.2017.02.007

  日期：2017.6

  C-S cross-coupling of aryl halides with alkyl thiols catalyzed by in-situ generated Ni (II) N-heterocyclic carbene (NHC) complexes is investigated. Good to excellent yields can be obtained for a variety of aryl halides when using 5 mol% of the Ni (II)-NHC catalyst and 1.5 eq. of KOtBu. Both the electronic and steric effects of the NHC ligands on the catalytic performance of Ni (II)-NHC, as well as the

  研究了原位生成的Ni（II）N-杂环卡宾（NHC）配合物催化的芳基卤化物与烷基硫醇的CS交叉偶联。当使用5 mol％的Ni（II）-NHC催化剂和1.5 eq。的Ni（II）-NHC催化剂时，对于各种芳基卤化物，可以获得良好或优异的收率。的KO Ť卜。考察了NHC配体对Ni（II）-NHC催化性能的电子和空间效应，以及芳基卤化物对偶合反应性的电子效应。还讨论了Ni（II）-NHC催化偶联反应的机理。
• Preparation of Functionalized Diaryl- and Diheteroaryllanthanum Reagents by Fast Halogen-Lanthanum Exchange
  作者：Andreas D. Benischke、Lucile Anthore-Dalion、Guillaume Berionni、Paul Knochel

  DOI：10.1002/anie.201709553

  日期：2017.12.18

  Aryl and heteroaryl halides (X=Br, I) undergo a fast and convenient halogen–lanthanum exchange with nBu2LaMe, which leads to functionalized diaryl‐ and diheteroaryllanthanum derivatives. Subsequent trapping reactions with selected electrophiles, such as ketones, aldehydes, or amides, proceeded smoothly at −50 °C in THF, affording polyfunctionalized alcohols and carbonyl derivatives. Kinetic competition

  芳基和杂芳基卤化物（X = Br，I）与nBu 2 LaMe进行快速便捷的卤素-镧交换，这导致官能化的二芳基和二杂芳基镧衍生物。随后与选定的亲电子试剂（如酮，醛或酰胺）的捕集反应在-50°C的THF中顺利进行，得到多官能化的醇和羰基衍生物。动力学竞争实验显示出与Br / Mg交换相似的反应趋势，但速率提高了10 6倍，使其与Br / Li交换相当。
• Electrochemical Thiolation and Borylation of Arylazo Sulfones with Thiols and B ₂ pin ₂
  作者：Rongkang Wang、Fangming Chen、Lvqi Jiang、Wenbin Yi

  DOI：10.1002/adsc.202001518

  日期：2021.3.29

  arylazo sulfones were used as radical precursors for carbon‐heteroatom bond formation under electrochemical conditions. Moreover, the scalability of this approach was evaluated by performing the electrochemical thiolation and borylation of arylazo sulfones with thiols and B2pin2 on a gram scale. This protocol not only avoided the use of stoichiometric oxidants, metal catalysts, activating agents and

  已经开发了一种有效的各种不对称硫醚和芳基硼酸酯的电化学合成方法。台式稳定的芳基偶氮砜被用作在电化学条件下形成碳-杂原子键的自由基前体。此外，该方法的可扩展性是通过以克为单位对芳基偶氮砜与硫醇和B 2 pin 2进行电化学巯基化和硼化来评估的。该方案不仅避免了使用化学计量的氧化剂，金属催化剂，活化剂，甚至添加了碱，而且还表现出良好的官能团耐受性。
• Efficient and Highly Selective Oxidation of Sulfides to Sulfoxides in the Presence of an Ionic Liquid Containing Hypervalent Iodine
  作者：Weixing Qian、Lin Pei

  DOI：10.1055/s-2006-933109

  日期：——

  A mild, efficient, highly selective, and environmentally friendly oxidation of sulfides to sulfoxides with a recyclable ion-supported hypervalent iodine reagent has been developed. This reaction is tolerant of hydroxyl, nitrile, methoxy, carbon-carbon double bonds, and ester functionalities. Aliphatic and aromatic sulfides are selectively oxidized to the corresponding sulfoxides at room temperature

  已经开发出一种温和、高效、高选择性和环境友好的硫化物氧化法，使用可回收的离子负载高价碘试剂将硫化物氧化为亚砜。该反应耐受羟基、腈、甲氧基、碳-碳双键和酯官能团。脂肪族和芳香族硫化物在室温下以极好的收率被选择性氧化成相应的亚砜。