2-oxo-3-thiono-1-thia-4-azaspiro<4.5>decane | 85976-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 2-oxo-3-thiono-1-thia-4-azaspiro<4.5>decane
• 英文别名: 3-Sulfanylidene-1-thia-4-azaspiro[4.5]decan-2-one
• CAS: 85976-47-2
• 化学式: C₈H₁₁NOS₂
• 分子量: 201.313
• InChiKey: CTFHHWLMGKVPJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-oxo-3-thiono-1-thia-4-azaspiro<4.5>decane 在 sodium hydroxide 、 tetraphosphorus decasulfide 、 硫化氢 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 11.0h， 生成 4'-(4-nitrobenzylthio)spiro
  参考文献：
  名称：

  Kibbel, Hans Ulrich; Bloedorn, Hartmut; Ketcham, Roger, Chemische Berichte, 1993, vol. 126, # 9, p. 2079 - 2082

  摘要：

  DOI：
• 作为产物：
  描述：

  2-oxo-3-mercapto-1-thia-4-azaspiro<4.5>dec-3-ene sodium salt 在 盐酸 作用下， 以 水 为溶剂， 以67.6%的产率得到2-oxo-3-thiono-1-thia-4-azaspiro<4.5>decane
  参考文献：
  名称：

  Synthesis of some substituted 1,3-thiazolines and 1,3-thiazolidines

  摘要：

  Sodium salts of 2,2-dimethyl-4-mercapto-5-oxo-1,3-thiazoline and 2-oxo-3-mercapto-1-thia-4-azaspiro[4.5]dec-3-ene, obtained from a solvate of sodium cyanodithioformate with three molecules of dimethylformamide, acetone, or cyclohexanone in the presence of morpholine, react with chlorothioformic dimethylamide with the formation of 2,2-dimethyl-5-oxo-4-(dimethylaminothiocarbonylthio)-1,3-thiazoline and 2-oxo-3-(dimethylaminothiocarbonylthio)-l-thia-4-azaspiro[4.5)dec-3-ene, respectively, and during acidolysis by hydrochloric acid they are converted to 2,2-dimethyl-5-oxo-4-thiono-1, 3-thiazolidine and 2-oxo-3-thiono-l-thia-4-azaspiro[4.5]decane. The latter compounds are facilely phosphorylated by dialkyl chlorophosphonates at the nitrogen atom. The reaction of the solvate of sodium cyanodithioformate with three molecules of dimethylformamide with chloroacetone in the presence of morpholine occurs anomalously with the formation of cyanothioformic morpholide.

  DOI：

  10.1007/bf00958849

文献信息

• Teller, Joachim; Radeglia, Reiner; Kibbel, Hans Ulrich, Zeitschrift fur Chemie, 1983, vol. 23, # 2, p. 60 - 61
  作者：Teller, Joachim、Radeglia, Reiner、Kibbel, Hans Ulrich

  DOI：——

  日期：——
• YAMASHITA, A.;TOY, A.;SCAHILL, T. A., J. ORG. CHEM., 54,(1989) N5, C. 3625-3634
  作者：YAMASHITA, A.、TOY, A.、SCAHILL, T. A.

  DOI：——

  日期：——
• Synthesis of some substituted 1,3-thiazolines and 1,3-thiazolidines
  作者：A. N. Pudovik、V. K. Khairullin、M. A. Vasyanina、I. K. Pokrovskaya、O. N. Kataeva、I. A. Litvinov、V. A. Naumov

  DOI：10.1007/bf00958849

  日期：1990.11

  Sodium salts of 2,2-dimethyl-4-mercapto-5-oxo-1,3-thiazoline and 2-oxo-3-mercapto-1-thia-4-azaspiro[4.5]dec-3-ene, obtained from a solvate of sodium cyanodithioformate with three molecules of dimethylformamide, acetone, or cyclohexanone in the presence of morpholine, react with chlorothioformic dimethylamide with the formation of 2,2-dimethyl-5-oxo-4-(dimethylaminothiocarbonylthio)-1,3-thiazoline and 2-oxo-3-(dimethylaminothiocarbonylthio)-l-thia-4-azaspiro[4.5)dec-3-ene, respectively, and during acidolysis by hydrochloric acid they are converted to 2,2-dimethyl-5-oxo-4-thiono-1, 3-thiazolidine and 2-oxo-3-thiono-l-thia-4-azaspiro[4.5]decane. The latter compounds are facilely phosphorylated by dialkyl chlorophosphonates at the nitrogen atom. The reaction of the solvate of sodium cyanodithioformate with three molecules of dimethylformamide with chloroacetone in the presence of morpholine occurs anomalously with the formation of cyanothioformic morpholide.
• Kibbel, Hans Ulrich; Bloedorn, Hartmut; Ketcham, Roger, Chemische Berichte, 1993, vol. 126, # 9, p. 2079 - 2082
  作者：Kibbel, Hans Ulrich、Bloedorn, Hartmut、Ketcham, Roger、Schaumann, Ernst

  DOI：——

  日期：——