1-(4-Methoxy-phenyl)-3-thioxo-butan-1-one | 63523-19-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Methoxy-phenyl)-3-thioxo-butan-1-one
• 英文别名: 2-Thioacetyl-4'-methoxy acetophenone；1-(4-methoxyphenyl)-3-sulfanylidenebutan-1-one
• CAS: 63523-19-3
• 化学式: C₁₁H₁₂O₂S
• 分子量: 208.281
• InChiKey: WCMGYVRNOMVJRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Methoxy-phenyl)-3-thioxo-butan-1-one 在 间氯过氧苯甲酸 作用下， 以 乙醚 为溶剂， 生成 (Z)-1-(4-Methoxy-phenyl)-3-[(Z)-3-(4-methoxy-phenyl)-1-methyl-3-oxo-propenyldisulfanyl]-but-2-en-1-one
  参考文献：
  名称：

  Facile Preparation of Disulfides by Peracid Oxidation of β-Thioxoketones¹

  摘要：

  DOI：

  10.1055/s-1977-24342
• 作为产物：
  描述：

  O-乙基硫代乙酸酯 、 对甲氧基苯乙酮 生成 1-(4-Methoxy-phenyl)-3-thioxo-butan-1-one
  参考文献：
  名称：

  Facile Preparation of Disulfides by Peracid Oxidation of β-Thioxoketones¹

  摘要：

  DOI：

  10.1055/s-1977-24342

文献信息

• Cyclocondensation of Hydroxylamine with 1,3-Bis(het)arylmonothio 1,3-Diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-prop­enones: Synthesis of 3,5-Bis(het)arylisoxazoles with Complementary Regioselectivity
  作者：Byregowda Raghava、Gangajji Parameshwarappa、Anand Acharya、Toreshettahally R. Swaroop、Kanchugarakoppal S. Rangappa、Hiriyakkanavar Ila

  DOI：10.1002/ejoc.201301667

  日期：2014.3

  monothio-substituted 1,3-diketones is installed at the 3-position. On the other hand, the reaction of hydroxylamine hydrochloride with 3-(methylthio)-1,3-bis(het)aryl-2-propenones 2 in the presence of barium hydroxide in refluxing ethanol gave 3,5-bis(het)arylisoxazoles 6 with complementary regioselectivity in high yields. A probable mechanism for the formation of regioisomeric isoxazoles 5 and 6 from precursors

  已经开发了区域选择性合成具有互补区域选择性的 3,5-双（杂）芳基异恶唑的有效途径。该方法包括盐酸羟胺与 1,3-双（杂）芳基-单硫代取代的 1,3-二酮 1 或与 3-甲硫基-1,3-双（杂）芳基-2-丙烯酮 2 在各种反应条件。在第一个方案中，在醋酸钠/醋酸（pH 2.2）的存在下，在回流的乙醇/苯中用盐酸羟胺处理二酮 1，得到 3,5-双（杂）芳基异恶唑 5，其中杂（芳基）与单硫代取代的 1,3-二酮的硫代羰基相连的部分位于 3-位。另一方面，盐酸羟胺与3-(甲硫基)-1反应，3-双(杂)芳基-2-丙烯酮2在氢氧化钡存在下在回流乙醇中以高产率得到具有互补区域选择性的3,5-双(杂)芳基异恶唑6。已经提出了由前体 1 和 2 形成区域异构异恶唑 5 和 6 的可能机制。
• 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents
  申请人：G.D. Searle & Co.

  公开号：US20030013744A1

  公开（公告）日：2003-01-16

  A class of 3,4-diaryl substituted thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: 1 wherein Y is selected from O, S and NR 1 ; wherein R 1 is selected from hydrido and lower alkyl; wherein X is one or two substituent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R 2 and R 3 are independently aryl or heteroaryl; and wherein R 2 and R 3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代的噻吩、呋喃和吡咯衍生物及其类似物，包括含有它们的制药组合物和使用它们治疗炎症和炎症相关疾病的方法。特别感兴趣的化合物由公式I定义：其中Y选择自O、S和NR1；其中R1选择自氢和较低的烷基；其中X是一个或两个取代基，选择自氢、卤素、较低的烷氧羰基和羧基；其中R2和R3分别为芳基或杂芳基；其中R2和R3在可取代位置上可以选择一个或多个基团进行取代，选择自磺酰胺基、烷基磺酰基、卤素、较低的烷氧基和较低的烷基；或其药学上可接受的盐。
• 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents
  申请人：——

  公开号：US20020058691A1

  公开（公告）日：2002-05-16

  A class of 3,4-diaryl substituted thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: 1 wherein Y is selected from O, S and NR 1 ; wherein R 1 is selected from hydrido and lower alkyl; wherein X is one or two substicuent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R 2 and R 3 are independently aryl or heteroaryl; and wherein R 2 and R 3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代噻吩、呋喃和吡咯衍生物及其类似物，含有它们的制药组合物以及使用它们治疗炎症和炎症相关疾病的方法。特别感兴趣的化合物由式I:1定义：其中Y选自O、S和NR1；其中R1选自氢和较低的烷基；其中X是一个或两个取代基，选自氢、卤素、较低的烷氧羰基和羧基；其中R2和R3独立地是芳基或杂环芳基；其中R2和R3在可取代位置上可以选择性地用一个或多个基团取代，所述基团选自磺酰胺基、烷基磺酰基、卤素、较低的烷氧基和较低的烷基；或其药学上可接受的盐。
• 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents
  申请人：G.D. Searle & Co.

  公开号：US20030153602A1

  公开（公告）日：2003-08-14

  A class of 3,4-diaryl substituted thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: 1 wherein Y is selected from O, S and NR 1 ; wherein R 1 is selected from hydrido and lower alkyl; wherein X is one or two substituent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R 2 and R 3 are independently aryl or heteroaryl; and wherein R 2 and R 3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代的噻吩、呋喃和吡咯衍生物及其类似物，包含它们的制药组合物以及使用它们治疗炎症和炎症相关疾病的方法。特别感兴趣的化合物由式I定义：其中Y从O、S和NR1中选择；其中R1选择自氢和较低烷基；其中X是一个或两个取代基，从氢、卤素、较低烷氧基和羧基中选择；其中R2和R3分别为芳基或杂环芳基；其中R2和R3在可取代位置上可选择一个或多个基团进行取代，所述基团从磺酰胺基、烷基磺酰基、卤素、较低烷氧基和较低烷基中选择；或其药学上可接受的盐。
• Method of treating skin related conditions
  申请人：G. D. Searle & Co.

  公开号：US06274590B1

  公开（公告）日：2001-08-14

  A class of 3,4-diaryl substituted thiophene, derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: wherein Y is S; wherein X is one or two substituents selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R2 and R3 are independently aryl or heteroaryl; and wherein R2 and R3 are optionally substituted with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代噻吩、其衍生物和类似物、含有它们的药物组合物以及使用它们治疗炎症和与炎症相关的疾病的方法。特别感兴趣的化合物由式I定义：其中Y为S；其中X为氢、卤素、较低的烷氧羰基和羧基中的一种或两种取代基；其中R2和R3独立地为芳基或杂环芳基；其中R2和R3可以选择性地用来自磺酰胺基、烷基磺酰基、卤素、较低的烷氧基和较低的烷基中的一个或多个基团取代；或其药学上可接受的盐。