3-propanoyl-(3H,5H)-tetrahydrothiophene-2,4-dione | 253279-67-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-propanoyl-(3H,5H)-tetrahydrothiophene-2,4-dione
• 英文别名: 3-Propanoylthiolane-2,4-dione
• CAS: 253279-67-3
• 化学式: C₇H₈O₃S
• 分子量: 172.205
• InChiKey: FUDCPAOUODDAQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-二氢异喹啉 、 3-propanoyl-(3H,5H)-tetrahydrothiophene-2,4-dione 以 溶剂黄146 为溶剂， 反应 9.0h， 以75.6%的产率得到8-aza-11-methyl-16-thiagona-1,3,5(10),13-tetraene-12,17-dione
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1020917429301
• 作为产物：
  描述：

  硫代季酮酸 、 丙酰氯 在 三乙胺 、 丙酮氰醇 作用下， 以 氯仿 、 乙腈 为溶剂， 以46%的产率得到3-propanoyl-(3H,5H)-tetrahydrothiophene-2,4-dione
  参考文献：
  名称：

  摘要：

  Acylation of (3H,5H)-tetrahydrothiophene-2,4-dione (thiotetronic acid) with acetyl, propionyl, and valeryl chlorides followed by O-C isomerization in the presence of 4-dimethylaminopyridine or acetone cyanohydrin gave rise to 3-acetyl, 3-propanoyl, and 3-pentanoyl derivatives of thiotetronic acid. The reaction of 3-acylthiotetronic acids with diazomethane afforded enol methyl ethers at the endocyclic keto groups. The subsequent reaction of these enol ethers with allylamine, benzylamine, and p-anisidine occurs along the mechanism of vinylog substitution providing the corresponding endocyclic enamino derivatives.

  DOI：

  10.1023/a:1013464314542

文献信息

• AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION
  申请人：L'Oreal

  公开号：US20200030215A1

  公开（公告）日：2020-01-30

  The present invention relates to a composition comprising: (a) one more compound(s) of thiolactone type, and (b) one or more silicones.
• COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION
  申请人：L'Oreal

  公开号：US20200031796A1

  公开（公告）日：2020-01-30

  The present invention relates to a composition comprising: (a) at least one compound of thiolactone type, and (b) one or more solvents, which may be identical or different, chosen from polar (non-)protic organic solvents; the pH of said composition being less than or equal to 7.