4-(methylthiomethyl)acetophenone | 99103-82-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(methylthiomethyl)acetophenone
• 英文别名: 1-[4-(Methylsulfanylmethyl)phenyl]ethanone
• CAS: 99103-82-9
• 化学式: C₁₀H₁₂OS
• 分子量: 180.271
• InChiKey: KTZRQEOUTZCJLL-UHFFFAOYSA-N

物化性质

• 沸点：
  295.7±23.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(methylthiomethyl)acetophenone 在 jones reagent 作用下， 生成 (S)-4-(methylsulfinylmethyl)acetophenone 、 (R)-4-(methylsulfinylmethyl)acetophenone
  参考文献：
  名称：

  Biotransformation of organic sulfides. Part 6. Formation of chiral para-substituted benzyl methyl sulfoxides by Helminthosporium species NRRL 4671

  摘要：

  The fungus Helminthosporium species NRRL 4671 has been used for the biotransformation of a series of para-substituted benzyl sulfides with substituent groups consisting of trifluoromethyl, halo, hydroxy, methoxy, acetoxy, nitro, cyano, amino, acetamido, acyl and carboxylic acid units. In all cases, sulfoxide formation occurred in good yield and with predominant (S) chirality at the sulfur position. A minor amount of sulfone product was also obtained from the halo- and methoxy-substituted substrates.

  DOI：

  10.1016/0957-4166(95)00199-y
• 作为产物：
  描述：

  4-(methylthiomethyl)benzonitrile 、 alkaline earth salt of/the/ methylsulfuric acid 在 三甲基铝 作用下， 以 正己烷 、 苯 为溶剂， 以1.97 g的产率得到4-(methylthiomethyl)acetophenone
  参考文献：
  名称：

  Biotransformation of organic sulfides. Part 6. Formation of chiral para-substituted benzyl methyl sulfoxides by Helminthosporium species NRRL 4671

  摘要：

  The fungus Helminthosporium species NRRL 4671 has been used for the biotransformation of a series of para-substituted benzyl sulfides with substituent groups consisting of trifluoromethyl, halo, hydroxy, methoxy, acetoxy, nitro, cyano, amino, acetamido, acyl and carboxylic acid units. In all cases, sulfoxide formation occurred in good yield and with predominant (S) chirality at the sulfur position. A minor amount of sulfone product was also obtained from the halo- and methoxy-substituted substrates.

  DOI：

  10.1016/0957-4166(95)00199-y

文献信息

• BICYCLIC PEPTIDE LIGANDS AND USES THEREOF
  申请人：BicycleTx Limited

  公开号：US20200131228A1

  公开（公告）日：2020-04-30

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• Bicyclic peptide ligands and uses thereof
  申请人：BicycleTx Limited

  公开号：US10919937B2

  公开（公告）日：2021-02-16

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY
  申请人：Entrada Therapeutics, Inc.

  公开号：US20220033787A1

  公开（公告）日：2022-02-03

  Disclosed herein are compositions and methods of treating disclosure provides for compounds for use in treating Mitochondrial Neurogastrointestinal Encephalopathy Syndrome (MNGIE). In some embodiments, the compounds have cell penetrating activity and thymidine phosphorylase activity. In certain embodiments, the compounds disclosed herein comprise: a) at least one cell-penetrating peptide (CPP) moiety; and b) a thymidine phosphorylase, or an active fragment or analog thereof (TP), wherein the CPP is coupled, directly or indirectly, to TP.
• Biotransformation of organic sulfides. Part 6. Formation of chiral para-substituted benzyl methyl sulfoxides by Helminthosporium species NRRL 4671
  作者：Herbert L. Holland、Frances M. Brown、Brett G. Larsen

  DOI：10.1016/0957-4166(95)00199-y

  日期：1995.7

  The fungus Helminthosporium species NRRL 4671 has been used for the biotransformation of a series of para-substituted benzyl sulfides with substituent groups consisting of trifluoromethyl, halo, hydroxy, methoxy, acetoxy, nitro, cyano, amino, acetamido, acyl and carboxylic acid units. In all cases, sulfoxide formation occurred in good yield and with predominant (S) chirality at the sulfur position. A minor amount of sulfone product was also obtained from the halo- and methoxy-substituted substrates.