3-[2-(5-氯-3,4-二氢萘-1-基)乙基]咪唑烷-2,4-二酮 | 530093-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 3-[2-(5-氯-3,4-二氢萘-1-基)乙基]咪唑烷-2,4-二酮
• 英文名称: 3-[2-(5-chloro-3,4-dihydro-1-naphthalenyl)ethyl]imidazolidine-2,4-dione
• 英文别名: 3-[2-(5-Chloro-3,4-dihydronaphthalen-1-yl)ethyl]imidazolidine-2,4-dione；3-[2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethyl]imidazolidine-2,4-dione
• CAS: 530093-89-1
• 化学式: C₁₅H₁₅ClN₂O₂
• 分子量: 290.749
• InChiKey: MYJFMAPWALFFMH-UHFFFAOYSA-N

物化性质

• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[2-(5-氯-3,4-二氢萘-1-基)乙基]咪唑烷-2,4-二酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 11.0h， 生成 1-chloro-5,6,10,10a,11,12-hexahydrobenzo[f]imidazo[5,1-a]isoquinolin-8[9H]-one
  参考文献：
  名称：

  A new and convenient synthesis of 13,16-diazaestrone analogs

  摘要：

  Imidazolidine-2,4-dione was chemoselectively N-alkylated at the imidic NH with several 2-(3,4-dihydro-l-naph-thalenyl)ethyl-4-methylphenylsulphonates to give the corresponding imides for the first time which on selective reduction at one of the carbonyl groups followed by cyclization in PPA gave the corresponding title compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00093-5
• 作为产物：
  描述：

  ethyl (5-chloro-3,4-dihydronaphthalen-1-yl)acetate 在 吡啶 、 PEG-400 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 3-[2-(5-氯-3,4-二氢萘-1-基)乙基]咪唑烷-2,4-二酮
  参考文献：
  名称：

  A new and convenient synthesis of 13,16-diazaestrone analogs

  摘要：

  Imidazolidine-2,4-dione was chemoselectively N-alkylated at the imidic NH with several 2-(3,4-dihydro-l-naph-thalenyl)ethyl-4-methylphenylsulphonates to give the corresponding imides for the first time which on selective reduction at one of the carbonyl groups followed by cyclization in PPA gave the corresponding title compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00093-5

文献信息

• A new and convenient synthesis of 13,16-diazaestrone analogs
  作者：J.A. Parihar、M.M.V. Ramana

  DOI：10.1016/s0040-4039(03)00093-5

  日期：2003.2

  Imidazolidine-2,4-dione was chemoselectively N-alkylated at the imidic NH with several 2-(3,4-dihydro-l-naph-thalenyl)ethyl-4-methylphenylsulphonates to give the corresponding imides for the first time which on selective reduction at one of the carbonyl groups followed by cyclization in PPA gave the corresponding title compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.