3-(3-chloropropanoyl)-1,3-diazaspiro[4,5]decane-2,4-dithione | 1177250-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(3-chloropropanoyl)-1,3-diazaspiro[4,5]decane-2,4-dithione
• 英文别名: 3-chloro-1-(2,4-dithioxo-1,3-diaza-spiro[4,5]dec-3-yl)propan-1-one；3-(3-Chloropropanoyl)-1,3-diazaspiro[4.5]decane-2,4-dithione；1-[2,4-bis(sulfanylidene)-1,3-diazaspiro[4.5]decan-3-yl]-3-chloropropan-1-one
• CAS: 1177250-01-9
• 化学式: C₁₁H₁₅ClN₂OS₂
• 分子量: 290.838
• InChiKey: YHTFFFBQDBGWHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 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：
  96.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-chloropropanoyl)-1,3-diazaspiro[4,5]decane-2,4-dithione 在 potassium iodide 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以98%的产率得到3'-thioxo-6',7'-dihydro-5'H-spiro[cyclohexane-1,2'-imidazo[2,1-b][1,3]thiazin]-5'-one
  参考文献：
  名称：

  Synthesis of 5-spirocyclohexyl-2,4-dithiohydantoin derivatives: a potential anti-leishmaniasis agent

  摘要：

  A series of spiro-dithiohydantoins were synthesized by heating a mixture of 5-spirocyclohexyl-2,4dithiohydantoin potassium salt and 3-chloropropanoyl chloride. These compounds were synthesized and evaluated for their activity against five Leishmanial strains in the promastigote stage in vitro. Seventy-two hours inoculation of a variety of products gave an IC100 and average IC50 values of 1.25 and 0.376 mg/cm(3) against all Leishmanial strains tested.

  DOI：

  10.1007/s00706-008-0063-9
• 作为产物：
  描述：

  1,3-diazaspiro[4,5]decane-2,4-dithione potassium salt 、 3-氯丙酰氯 以 乙醇 为溶剂， 以75%的产率得到3-(3-chloropropanoyl)-1,3-diazaspiro[4,5]decane-2,4-dithione
  参考文献：
  名称：

  Synthesis of 5-spirocyclohexyl-2,4-dithiohydantoin derivatives: a potential anti-leishmaniasis agent

  摘要：

  A series of spiro-dithiohydantoins were synthesized by heating a mixture of 5-spirocyclohexyl-2,4dithiohydantoin potassium salt and 3-chloropropanoyl chloride. These compounds were synthesized and evaluated for their activity against five Leishmanial strains in the promastigote stage in vitro. Seventy-two hours inoculation of a variety of products gave an IC100 and average IC50 values of 1.25 and 0.376 mg/cm(3) against all Leishmanial strains tested.

  DOI：

  10.1007/s00706-008-0063-9