4-(methylthiomethyl)acetophenone | 168028-52-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-(methylthiomethyl)acetophenone
• 英文别名: Phenol, 4-[(methylthio)methyl]-, 1-acetate；[4-(methylsulfanylmethyl)phenyl] acetate
• CAS: 168028-52-2
• 化学式: C₁₀H₁₂O₂S
• 分子量: 196.27
• InChiKey: WLTXYFLGTGAONI-UHFFFAOYSA-N

物化性质

• 沸点：
  288.6±23.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(methylthiomethyl)acetophenone 以 乙醇 为溶剂， 反应 48.0h， 生成 (S)-4-(methylsulfinylmethyl)phenol 、 (R)-4-(methylsulfinylmethyl)phenol
  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-(氯甲基)苯基乙酸酯 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 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

• Compounds,Compositions, and methods for the treatment of disease
  申请人：Sperovie Biosciences, Inc.

  公开号：US11033569B2

  公开（公告）日：2021-06-15

  Disclosed are compounds and compositions for the activation or induction of expression of a pattern recognition receptor (e.g., STING, RIG-I, MDA5), and methods of use thereof.

  公开了用于激活或诱导模式识别受体（如 STING、RIG-I、MDA5）表达的化合物和组合物及其使用方法。
• Antireflection film composition, patterning process and substrate using the same
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP1798599B1

  公开（公告）日：2008-08-06
• COMPOUNDS,COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE
  申请人：Sperovie Biosciences, Inc.

  公开号：US20190262372A1

  公开（公告）日：2019-08-29

  Disclosed are compounds and compositions for the activation or induction of expression of a pattern recognition receptor (e.g., STING, RIG-I, MDA5), and methods of use thereof.
• 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.