对乙基苄基甲基硫醚 | 100758-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 对乙基苄基甲基硫醚
• 英文名称: p-ethylbenzyl methyl sulfide
• 英文别名: (4-Ethylbenzyl)methyl sulfide；1-ethyl-4-(methylsulfanylmethyl)benzene
• CAS: 100758-44-9
• 化学式: C₁₀H₁₄S
• 分子量: 166.287
• InChiKey: PECIOKVBDJJAFS-UHFFFAOYSA-N

物化性质

• 沸点：
  239.4±9.0 °C(Predicted)
• 密度：
  0.983±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  对乙基苄基甲基硫醚 生成 4-乙基甲苯
  参考文献：
  名称：

  STAMOS, I. K., TETRAHEDRON LETT., 1985, 26, N 23, 2787-2788

  摘要：

  DOI：
• 作为产物：
  描述：

  乙基苯 、 二甲基亚砜 在 四氯化锡 、 三氟乙酸酐 作用下， 生成 对乙基苄基甲基硫醚
  参考文献：
  名称：

  用pummerer重排中间体将芳族化合物烷基化。在制备甲基-芳基化合物中的应用

  摘要：

  由二甲基亚砜生成的Pummerer中间体在氯化锡（IV）的存在下与芳族化合物反应，生成甲基-硫代甲基芳基产品，然后将其与阮内镍（Raney-Ni）脱硫为甲基芳基化合物。

  DOI：

  10.1016/s0040-4039(00)94912-8

文献信息

• Superelectrophilic Methylthiomethylation of Aromatics with Chloromethyl Methyl Sulfide/Aluminum Chloride (MeSCH₂Cl:2AlCl₃) Reagent
  作者：George A. Olah、Qi Wang、Gebhard Neyer

  DOI：10.1055/s-1994-25458

  日期：——

  Effective methylthiomethylation of aromatics was achieved by using chloromethyl methyl sulfide/aluminum chloride (MeSCH2Cl:2AICl3) as the alkylating agent. Excess aluminum chloride activates the thiocarboxonium ion intermediate by coordinating with sulfur and thus diminishes back donation of "electron density" into the carbocationic center, rendering it a superelectrophilic methylthiomethylating agent.

  通过使用氯甲基甲基硫醚/氯化铝（MeSCH2Cl:2AICl3）作为烷基化剂，实现了芳烃的有效甲基硫代甲基化。过量的氯化铝通过与硫配位激活硫代羧酸根离子中间体，从而减少“电子密度”向碳阳离子中心的反施予，使其成为超亲电甲基硫代甲基化剂。
• COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES
  申请人：Hyundai Pharm Co., Ltd.

  公开号：EP3207928B1

  公开（公告）日：2021-03-10
• ADENINE COMPOUND AND USE THEREOF
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1550662B1

  公开（公告）日：2012-07-04
• Biotransformation of organic sulfides. Part 5. Formation of chiral para-alkyl benzyl methyl sulfoxides by Helminthosporium species NRRL 4671
  作者：Herbert L. Holland、Frances M. Brown、Brett G. Larsen

  DOI：10.1016/0957-4166(94)80166-5

  日期：1994.7

  The fungus Helminthosporium species NRRL. 4671 has been used for the biotransformation of a series of para-alkylbenzyl sulfides with alkyl groups consisting of methyl, ethyl, n.propyl, isopropyl, n.butyl, and t.butyl. For the majority of substrates, sulfoxide formation occurred in moderate yield and with predominant (S) chirality at sulfur; lesser amounts of sulfone product were also obtained. For substrates with alkyl groups other than methyl, hydroxylation of the alkyl substituent at the terminal carbon atom was also observed. The latter reaction was investigated by the use of isopropylbenzene, t.butylbenzene, and (+/-) pal a n.butylbenzyl methyl sulfoxide as substrates. The data so obtained suggest that, during biotransformation of pma-alkyl benzyl methyl sulfides by Helminthosporium, S-oxidation precedes carbon hydroxylation.
• BLOCKERS OF PORE-FORMING VIRULENCE FACTORS AND THEIR USE AS ANTI-INFECTIVES
  申请人：KARGINOV VLADIMIR

  公开号：US20120277184A1

  公开（公告）日：2012-11-01

  The invention provides methods for treating, delaying, and preventing pathological conditions caused by pore-forming toxins such as anthrax toxin, α-hemolysin toxin, and ε-toxin using a class of low molecular weight compounds that block the pore formed by these toxins. Specific compounds useful for treating, preventing, or delaying a disease condition caused by Bacillus anthracis, Staphylococcus aureus , and Clostridium perfringens are identified.