1-(2-(甲硫基)苯基)乙醇 | 30439-31-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 1-(2-(甲硫基)苯基)乙醇
• 英文名称: 1-[2-(Methylsulfanyl)phenyl]ethan-1-ol
• 英文别名: 1-(2-methylsulfanylphenyl)ethanol
• CAS: 30439-31-7
• 化学式: C₉H₁₂OS
• mdl: MFCD18891395
• 分子量: 168.26
• InChiKey: BZUCROKDRHBEBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  2
• 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

反应信息

• 作为反应物：
  描述：

  1-(2-(甲硫基)苯基)乙醇 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 2-(methylthio)-styrene
  参考文献：
  名称：

  Ruwet,A.; Renson,M., Bulletin des Societes Chimiques Belges, 1970, vol. 79, p. 593 - 599

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-溴苯基)-2-甲基-1,3-二氧戊环 在 盐酸 、 sodium tetrahydroborate 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 丙酮 为溶剂， 反应 5.75h， 生成 1-(2-(甲硫基)苯基)乙醇
  参考文献：
  名称：

  Preparation of chiral organochalcogeno-α-methylbenzyl alcohols via biocatalysis. The role of Daucus carota root

  摘要：

  A series of organochalcogeno acetophenones 3 has been submitted to the action of enzymes from Daucus carota root. Some of the chalcogeno ketones tested afforded the chiral organochalcogeno-alpha-methylbenzyl alcohols 4 in excellent enantiomeric excesses (>99%), under mild and environmentally friendly conditions. The stereoselectivity of the reduction is in accordance with Prelog's rule. Enzymatic kinetic resolution as alternative process was used to obtain the chiral ortho-organochalcogeno-alpha-methylbenzyl alcohols in excellent enantiomeric excess (>99%). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.011

文献信息

• Measurement of electrophilic aromatic reactivities via pyrolysis of 1-arylethyl acetates. Part VI. Further evidence for the direct field effect, and the invalidity of ? 0 + values
  作者：R. Taylor

  DOI：10.1039/j29710001450

  日期：——

  of ortho-substituents in these reactions are different from those required for electrophilic substitutions; the difference is ascribed to the particular effectiveness of the direct field effect operating between the ortho- and the side-chain α-positions, and any attempt to determine σ+ values from these reactions for application to electrophilic substitutions is invalid. The abnormally high activation

  1-芳基乙酸乙酯XC 6 H 4 CHMe·OAc的相对热解速率（每种化合物在50°范围内测量）在600°K下如下：（X =）H，1·00；（X =）H，1·00；（X =）H，1·00；（K ＝ 1）。2相，0·89；3相，0·805；4相，1·32；2-PhO，1·20；4-PhO，2·14；2-MeS，1·02；4-MeS，1·48；2-PhCH 2，1 ·51；m / z 。4-PhCH 2，1 ·51。相对于含对氧和硫的邻位取代基而言，异常低活化被证明是普遍涉及的反应，该反应涉及在侧链α位形成碳离子。结果与发现邻位卤素取代基的结果相似，并表明描述邻位作用所需的规则这些反应中的取代基不同于亲电取代所需的取代基；差异归因于在邻链和侧链α位置之间发生的直接场效应的特殊有效性，并且从这些反应确定σ +值以用于亲电取代的任何尝试都是无效的。邻苄基取代基异常高的活化作用归因于取代基π电子与初始碳离子之间的相互作用。
• [EN] METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY<br/>[FR] MÉTHODE DE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS PAR RÉCUPÉRATION DE LA TOXICITÉ DE L'ALPHA-SYNUCLÉINE
  申请人：DE SHAW RES LLC

  公开号：WO2017106367A1

  公开（公告）日：2017-06-22

  A method for treating neurodegenerative disease in a subject in need thereof by administering to the subject an effective amount of a Nedd4 activator as described herein.
• Preparation of chiral organochalcogeno-α-methylbenzyl alcohols via biocatalysis. The role of Daucus carota root
  作者：João V. Comasseto、Álvaro T. Omori、André L.M. Porto、Leandro H. Andrade

  DOI：10.1016/j.tetlet.2003.11.011

  日期：2004.1

  A series of organochalcogeno acetophenones 3 has been submitted to the action of enzymes from Daucus carota root. Some of the chalcogeno ketones tested afforded the chiral organochalcogeno-alpha-methylbenzyl alcohols 4 in excellent enantiomeric excesses (>99%), under mild and environmentally friendly conditions. The stereoselectivity of the reduction is in accordance with Prelog's rule. Enzymatic kinetic resolution as alternative process was used to obtain the chiral ortho-organochalcogeno-alpha-methylbenzyl alcohols in excellent enantiomeric excess (>99%). (C) 2003 Elsevier Ltd. All rights reserved.
• Ruwet,A.; Renson,M., Bulletin des Societes Chimiques Belges, 1970, vol. 79, p. 593 - 599
  作者：Ruwet,A.、Renson,M.

  DOI：——

  日期：——