3-(phenylthio)-4-acetyl-3-sulfolene | 116503-23-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(phenylthio)-4-acetyl-3-sulfolene
• 英文别名: 3-acetyl-4-(phenylthio)-3-sulfolene；4-acetyl-3-(phenylthio)-3-sulfolene；1-(1,1-Dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)ethanone
• CAS: 116503-23-2
• 化学式: C₁₂H₁₂O₃S₂
• 分子量: 268.357
• InChiKey: VHZUNCLADRZFSQ-UHFFFAOYSA-N

物化性质

• 熔点：
  149.5-150.5 °C
• 沸点：
  509.4±50.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(phenylthio)-4-acetyl-3-sulfolene 以80%的产率得到2-Acetyl-3-(phenylthio)-1,3-butadiene
  参考文献：
  名称：

  2-Acetyl-3-(phenylthio)-1,3-butadiene: a novel Diels-Alder diene and dienophile

  摘要：

  DOI：

  10.1021/jo00257a019
• 作为产物：
  描述：

  4-bromo-3-(phenylthio)-2-sulfolene 在 银 、 pyridinium chlorochromate 、 锌 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 3-(phenylthio)-4-acetyl-3-sulfolene
  参考文献：
  名称：

  Chou, Shang-Shing P.; Sun, Der-Jen; Weh, Shiow-Jyi, Synthetic Communications, 1989, vol. 19, # 9-10, p. 1593 - 1602

  摘要：

  DOI：

文献信息

• Heterocyclic fused 2,5-dihydrothiophene S,S-dioxides as precursors to heterocyclic o-quinodimethanes
  作者：Lynne M. Chaloner、Andrew P.A. Crew、Paul M. O'Neill、Richard C. Storr、Michael Yelland

  DOI：10.1016/s0040-4020(01)80480-4

  日期：1992.1

  5-bischloromethylthiophene-2-carboxylate by reaction with sodium sulfide and oxidation. Pyrazole fused analogues 15 and 16 (R = Me and COPh) were prepared from 3-phenylsulfonyl-2,5-dihydrothiophene S,S-dioxide by cycloaddition of diazomethane, base induced aromatisation and N-substitution of the sulfone 14. Reaction of 3-acetyl-4-phenylthio-2,5-dihydrothiophene S,S-dioxide with hydrazine and interception of

  2,5-Dihydrothiophene 5,5-dioxides 8 and 6 have been obtained by interception of flash-pyrolytically produced 2,3-dihydro-2,3-bis(methylene)thiophene with sulfur dioxide and from methyl 4,5-bischloromethylthiophene-2-carboxylate by reaction with sodium sulfide and oxidation. Pyrazole fused analogues 15 and 16 (R = Me and COPh) were prepared from 3-phenylsulfonyl-2,5-dihydrothiophene S,S-dioxide by cycloaddition
• A Facile Synthesis of 3-Substituted Methyl 4,6-Dihydrothieno[3,4-b]thiophene-2-carboxylate 5,5-Dioxides as Precursors of<i>o</i>-Dimethylene Thiophene
  作者：Hsi-Hwa Tso、Hongru Tsay、Jo-Hwa Li

  DOI：10.1080/00397919508013867

  日期：1995.11

  Abstract A facile synthesis of 3-substituted methyl 4,6-dihydrothieno[3,4-b]thiophene-carboxylate 5,5-dioxides 1 from 3-(phenylthio)-4-acyl-3-sulfolenes 2 and their use as stable precursors of o-dimethylene thiophene 3 in [4 + 2] cycloaddition are described.

  摘要 从 3-(苯硫基)-4-酰基-3-环丁砜 2 合成 3-取代甲基 4,6-二氢噻吩并 [3,4-b] 噻吩-羧酸 5,5-二氧化物 1 及其作为稳定描述了 [4 + 2] 环加成中邻二亚甲基噻吩 3 的前体。
• CHOU, SHANG-SHING P.;SUN, DER-JEN;WEH, SHIOW-JYI, SYNTH. COMMUN., 19,(1989) N-10, C. 1593-1602
  作者：CHOU, SHANG-SHING P.、SUN, DER-JEN、WEH, SHIOW-JYI

  DOI：——

  日期：——