2-Hydroxy-1,3-diphenyl-2-(phenylthio)-1,3-propandion | 62830-56-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-Hydroxy-1,3-diphenyl-2-(phenylthio)-1,3-propandion
• 英文别名: 2-Hydroxy-1,3-diphenyl-2-(phenylsulfanyl)propane-1,3-dione；2-hydroxy-1,3-diphenyl-2-phenylsulfanylpropane-1,3-dione
• CAS: 62830-56-2
• 化学式: C₂₁H₁₆O₃S
• 分子量: 348.422
• InChiKey: VLVPVHIPOBABFP-UHFFFAOYSA-N

物化性质

• 沸点：
  527.9±50.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-1,3-diphenyl-2-(phenylthio)-1,3-propandion 在 sodium hypochlorite 作用下， 以 二氯甲烷 、 水 为溶剂， 以70%的产率得到二苯二硫醚
  参考文献：
  名称：

  Hemithioketal formation of vicinal tricarbonyl compound with thiols and their recovery

  摘要：

  In this paper, we report hemithioketal formation of diphenylpropanetrione (DPPT) with thiols and their recovery. Addition of thiols to the central carbonyl group occurred readily at ambient temperature to provide the thiol adducts of DPPT (DPPT-thiols), which has a hemithioketal structure. On the other hand, oxidizing DPPT-thiols with an oxidation reagent enabled successful recovery of DPPT, which indicated the reversible nature of this system. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2016.06.034
• 作为产物：
  描述：

  1,3-二苯基丙烷三酮 、 苯硫酚 以 二氯甲烷 为溶剂， 反应 22.0h， 以75%的产率得到2-Hydroxy-1,3-diphenyl-2-(phenylthio)-1,3-propandion
  参考文献：
  名称：

  Hemithioketal formation of vicinal tricarbonyl compound with thiols and their recovery

  摘要：

  In this paper, we report hemithioketal formation of diphenylpropanetrione (DPPT) with thiols and their recovery. Addition of thiols to the central carbonyl group occurred readily at ambient temperature to provide the thiol adducts of DPPT (DPPT-thiols), which has a hemithioketal structure. On the other hand, oxidizing DPPT-thiols with an oxidation reagent enabled successful recovery of DPPT, which indicated the reversible nature of this system. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2016.06.034

文献信息

• Hemithioketal formation of vicinal tricarbonyl compound with thiols and their recovery
  作者：Tatsuya Yuki、Morio Yonekawa、Kozo Matsumoto、Yoshihisa Sei、Ikuyoshi Tomita、Takeshi Endo

  DOI：10.1016/j.tet.2016.06.034

  日期：2016.8

  In this paper, we report hemithioketal formation of diphenylpropanetrione (DPPT) with thiols and their recovery. Addition of thiols to the central carbonyl group occurred readily at ambient temperature to provide the thiol adducts of DPPT (DPPT-thiols), which has a hemithioketal structure. On the other hand, oxidizing DPPT-thiols with an oxidation reagent enabled successful recovery of DPPT, which indicated the reversible nature of this system. (C) 2016 Elsevier Ltd. All rights reserved.