4-(2-Methyl-[1,3]dithiolan-2-yl)-butan-2-one | 141630-39-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 4-(2-Methyl-[1,3]dithiolan-2-yl)-butan-2-one
• 英文别名: 4-(2-Methyl-1,3-dithiolan-2-yl)butan-2-one
• CAS: 141630-39-9
• 化学式: C₈H₁₄OS₂
• 分子量: 190.331
• InChiKey: MMBRPSOVAPADRS-UHFFFAOYSA-N

物化性质

• 沸点：
  285.0±15.0 °C(Predicted)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-乙基羟胺 、 4-(2-Methyl-[1,3]dithiolan-2-yl)-butan-2-one 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以77%的产率得到2-methyl-2-(3-ethoxyiminobutyl)-1,3-dithiolane
  参考文献：
  名称：

  New β- or γ-oximinoether-1,3-dithiolanes as radioprotectors

  摘要：

  Seventeen beta- or gamma-oximinoether-1,3-dithiolanes were prepared and tested as radioprotector agents. Dithiolanes are well known for their radioprotective properties, and, for the first time, the combination of an oximinoether group and dithiolane moiety has been achieved within a single molecule. Five molecules 2a, 2d, 3a, 3b and 3j have immediate and sustained radioprotective activity.

  DOI：

  10.1016/0223-5234(94)90153-8
• 作为产物：
  描述：

  Hexandion-2,5-ethylenthioacetal 在 水 、 1-氟-2,4,6-三甲基吡啶三氟甲烷磺酸盐 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以21%的产率得到2,5-己二酮
  参考文献：
  名称：

  Efficient hydrolysis of dithioacetals by the N-fluoro-2,4,6-trimethylpyridinium triflate-water system

  摘要：

  Dithioacetals including 1,3-dithianes and 1,3-dithiolanes are efficiently cleaved by the title reagent system to the parent carbonyl compounds. The cleavage of diprotected symmetrical alpha-diketones and p-phenylene-diketones gives monoketones in good yields. Amide, 1,3-dioxolane, disulfide, ester, ether, hydroxy, nitrile, nitro, and sulfide functions are relatively stable under the cleavage conditions but thiols are oxidized to disulfides.

  DOI：

  10.1016/s0040-4020(01)80359-8

文献信息

• Robbe; Fernandez; Dubief, European Journal of Medicinal Chemistry, 1982, vol. 17, # 3, p. 235 - 243
  作者：Robbe、Fernandez、Dubief、et al.

  DOI：——

  日期：——
• New γ-thiazolidine-1,3-dithiolanes as radioprotectors
  作者：Ho Law、MH Péra、G Taillandier、M Fatome、JD Laval、G Leclerc

  DOI：10.1016/0223-5234(94)90208-9

  日期：1994.1

  Fourteen gamma-thiazolidine-1,3-dithiolanes were prepared and tested as radioprotective agents. The combination within a single molecule of thiazolidine and dithiolane moieties, both of which are known for their radioprotective properties, was achieved for the first time. Several molecules show significant radioprotective activity: immediate 4l; delayed 4b, 4f, 4h; or immediate and prolonged 4a.
• ROBBE, Y.;FERNANDEZ, J. -P.;DUBIEF, R.;CHAPAT, J. -P.;SENTENAC-ROUMANOU, +, EUR. J. MED. CHEM.-CHIM. THER., 1982, 17, N 3, 235-243
  作者：ROBBE, Y.、FERNANDEZ, J. -P.、DUBIEF, R.、CHAPAT, J. -P.、SENTENAC-ROUMANOU, +

  DOI：——

  日期：——
• Efficient hydrolysis of dithioacetals by the N-fluoro-2,4,6-trimethylpyridinium triflate-water system
  作者：Alexander S. Kiselyov、Lucjan Strekowski、Victor V. Semenov

  DOI：10.1016/s0040-4020(01)80359-8

  日期：1993.3

  Dithioacetals including 1,3-dithianes and 1,3-dithiolanes are efficiently cleaved by the title reagent system to the parent carbonyl compounds. The cleavage of diprotected symmetrical alpha-diketones and p-phenylene-diketones gives monoketones in good yields. Amide, 1,3-dioxolane, disulfide, ester, ether, hydroxy, nitrile, nitro, and sulfide functions are relatively stable under the cleavage conditions but thiols are oxidized to disulfides.
• New β- or γ-oximinoether-1,3-dithiolanes as radioprotectors
  作者：M Taroua、MH Péra、G Taillandier、M Fatome、JD Laval、G Leclerc

  DOI：10.1016/0223-5234(94)90153-8

  日期：1994.1

  Seventeen beta- or gamma-oximinoether-1,3-dithiolanes were prepared and tested as radioprotector agents. Dithiolanes are well known for their radioprotective properties, and, for the first time, the combination of an oximinoether group and dithiolane moiety has been achieved within a single molecule. Five molecules 2a, 2d, 3a, 3b and 3j have immediate and sustained radioprotective activity.