4-acetyl-3-hydroxy-2-methyl-2H-thiophen-5-one | 384330-87-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: 4-acetyl-3-hydroxy-2-methyl-2H-thiophen-5-one
• CAS: 384330-87-4
• 化学式: C₇H₈O₃S
• 分子量: 172.205
• InChiKey: NARDMPOIXDYJLI-UHFFFAOYSA-N

物化性质

• 沸点：
  344.0±42.0 °C(Predicted)
• 密度：
  1.409±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  4-氟溴苄 、 4-acetyl-3-hydroxy-2-methyl-2H-thiophen-5-one 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 3-Acetyl-5-(4-fluoro-benzyl)-4-hydroxy-5-methyl-5H-thiophen-2-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of thiotetronic acid analogues of thiolactomycin

  摘要：

  3-Acetyl analogues of thiolactomycin, a thiotetronic acid natural product, were synthesized and profiled against livestock pathogens. Some analogues showed improved activity over thiolactomycin against Staphylococcus aureus and comparable activity against Pasteurella multocida. Several semisynthetically modified analogues of thiolactomycin showed no improvement in activity over thiolactomycin. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00567-4
• 作为产物：
  描述：

  溴甲烷 、 3-acetylthiotetronic acid 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 4-acetyl-3-hydroxy-2-methyl-2H-thiophen-5-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of thiotetronic acid analogues of thiolactomycin

  摘要：

  3-Acetyl analogues of thiolactomycin, a thiotetronic acid natural product, were synthesized and profiled against livestock pathogens. Some analogues showed improved activity over thiolactomycin against Staphylococcus aureus and comparable activity against Pasteurella multocida. Several semisynthetically modified analogues of thiolactomycin showed no improvement in activity over thiolactomycin. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00567-4

文献信息

• [EN] PROCESS FOR TREATING KERATIN MATERIALS USING A COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A COMPOSITION COMPRISING AN ALKALINE AGENT AND/OR AN AMINO DERIVATIVE OF ALKOXYSILANE<br/>[FR] PROCÉDÉ DE TRAITEMENT DE MATIÈRES KÉRATINIQUES PAR L'UTILISATION D'UNE COMPOSITION COMPRENANT UN COMPOSÉ DE TYPE THIOLACTONE ET D'UNE COMPOSITION COMPRENANT UN AGENT ALCALIN ET/OU UN DÉRIVÉ AMINÉ D'ALKOXYSILANE
  申请人：OREAL

  公开号：WO2018115258A1

  公开（公告）日：2018-06-28

  The present invention relates to a process for treating keratin materials, in particular the hair, using a first composition comprising one or more alkaline agents and/or one or more amino derivatives of alkoxysilane and a second composition comprising one or more compound(s) of thiolactone type.

  本发明涉及一种处理角蛋白质材料的方法，特别是使用第一组分包括一种或多种碱性剂和/或一种或多种氨基烷氧基硅烷衍生物以及第二组分包括一种或多种硫内酯类化合物，来处理头发。
• 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.
• [EN] AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION<br/>[FR] COMPOSITION AQUEUSE COMPRENANT UN COMPOSÉ DE TYPE THIOLACTONE ET UNE SILICONE ET PROCÉDÉ DE TRAITEMENT DE MATIÈRES KÉRATINIQUES AVEC LA COMPOSITION
  申请人：OREAL

  公开号：WO2018115279A1

  公开（公告）日：2018-06-28

  The present invention relates to a composition comprising: (a) one more compound(s) of thiolactone type, and (b) one or more silicones.
• [EN] COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION<br/>[FR] COMPOSITION COMPRENANT UN COMPOSÉ DE TYPE THIOLACTONE ET UN SOLVANT PARTICULIER ET PROCÉDÉ DE TRAITEMENT DE MATIÈRES KÉRATINIQUES AVEC LA COMPOSITION
  申请人：OREAL

  公开号：WO2018115273A1

  公开（公告）日：2018-06-28

  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.