4-methyl-1-(methylthiomethyl)-7-thiabicyclo[3.3.1]non-3-en-2-one | 219296-17-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methyl-1-(methylthiomethyl)-7-thiabicyclo[3.3.1]non-3-en-2-one
• 英文别名: 8-Methyl-5-[(methylsulfanyl)methyl]-3-thiabicyclo[3.3.1]non-7-en-6-one；8-methyl-5-(methylsulfanylmethyl)-3-thiabicyclo[3.3.1]non-7-en-6-one
• CAS: 219296-17-0
• 化学式: C₁₁H₁₆OS₂
• 分子量: 228.379
• InChiKey: SLSUKCXXFCZYMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  4-methyl-1-(methylthiomethyl)-7-thiabicyclo[3.3.1]non-3-en-2-one 在 potassium iodate 、 溶剂黄146 作用下， 生成 4-methyl-1-(methylsulfinylmethyl)-7-thiabicyclo[3.3.1]non-3-en-2-one-7-oxide
  参考文献：
  名称：

  Ulendeeva; Baeva; Urazbaev, Petroleum Chemistry, 2002, vol. 42, # 2, p. 124 - 126

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 乙酰丙酮 、 sodium thiomethoxide 在 sodium sulfide 作用下， 反应 4.0h， 以18%的产率得到4-methyl-1-(methylthiomethyl)-7-thiabicyclo[3.3.1]non-3-en-2-one
  参考文献：
  名称：

  Condensation of acetylacetone with formaldehyde and thiols

  摘要：

  Acetylacetone reacted with formaldehyde and thiols in aqueous medium or in the presence of 0.1 equiv of sodium hydroxide to give the corresponding 3-[(alkylsulfanyl)methyl]pentane-2,4-diones which exist in solution as mixtures of diketone and enol tautomers. Four-component condensation of acetylacetone with formaldehyde, methanethiol, and sodium sulfide, depending on the reaction time, led to the formation of a mixture of 1,1-bis(methylsulfanylmethyl)propan-2-one with 1,1'-{3-[(methylsulfanyl)methyl]tetrahydro-2H-thiopyran-3,5-diyl}diethanone or with 8-methyl-5-(methylsulfanylmethyl)-3-thiabicyclo[3.3.1]non-7-en-6-one.

  DOI：

  10.1134/s1070428013090078

文献信息

• Ulendeeva; Baeva; Urazbaev, Petroleum Chemistry, 2002, vol. 42, # 2, p. 124 - 126
  作者：Ulendeeva、Baeva、Urazbaev、Lyapina

  DOI：——

  日期：——
• Condensation of acetylacetone with formaldehyde and thiols
  作者：L. A. Baeva、L. F. Biktasheva、A. A. Fatykhov、N. K. Lyapina

  DOI：10.1134/s1070428013090078

  日期：2013.9

  Acetylacetone reacted with formaldehyde and thiols in aqueous medium or in the presence of 0.1 equiv of sodium hydroxide to give the corresponding 3-[(alkylsulfanyl)methyl]pentane-2,4-diones which exist in solution as mixtures of diketone and enol tautomers. Four-component condensation of acetylacetone with formaldehyde, methanethiol, and sodium sulfide, depending on the reaction time, led to the formation of a mixture of 1,1-bis(methylsulfanylmethyl)propan-2-one with 1,1'-3-[(methylsulfanyl)methyl]tetrahydro-2H-thiopyran-3,5-diyl}diethanone or with 8-methyl-5-(methylsulfanylmethyl)-3-thiabicyclo[3.3.1]non-7-en-6-one.
• Ulendeeva; Baeva; Nikitina, Petroleum Chemistry, <hi>2004</hi>, vol. 44, # 5, p. 358 - 362
  作者：Ulendeeva、Baeva、Nikitina、Spirikhin、Vasil'eva、Lyapina

  DOI：——

  日期：——