N,N'-bis(1,3-benzodioxol-5-ylmethyl)ethylenediamine | 102016-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N,N'-bis(1,3-benzodioxol-5-ylmethyl)ethylenediamine
• 英文别名: N,N'-dipiperonyl-ethylenediamine；N,N'-Dipiperonyl-aethylendiamin；N,N'-bis(1,3-benzodioxol-5-ylmethyl)ethane-1,2-diamine
• CAS: 102016-88-6
• 化学式: C₁₈H₂₀N₂O₄
• 分子量: 328.368
• InChiKey: VGMHLKHHILSAAH-UHFFFAOYSA-N

物化性质

• 熔点：
  300 °C
• 沸点：
  485.1±40.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis(1,3-benzodioxol-5-ylmethyl)ethylenediamine 、 N,N-二乙基-4-氨基苯甲醛 以70%的产率得到4-[1,3-bis(1,3-benzodioxol-5-ylmethyl)imidazolidin-2-yl]-N,N-diethylaniline
  参考文献：
  名称：

  Synthesis of novel tetrahydroimidazole derivatives and studies for their biological properties

  摘要：

  Ethylenediamine was reacted with suitable aromatic aldehydes in order to prepare their respective diSchiff bases. These compounds were then reduced to give the corresponding tetrahydrodiSchiff bases, which were low melting in nature. Finally, these derivatives were condensed with different aromatic aldehydes to give the desired tetrahydroimidazoles. The structures of all these compounds were established on the basis of spectral data. These novel tetrahydroimidazoles showed promising anti-inflammatory and analgesic activity. The compounds were also screened for their anti-bacterial property against Staphylococcus aureus and Escherichia coli. (C) 2001 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(01)01256-9
• 作为产物：
  描述：

  N,N'-bis[1,3-benzodioxol-5-ylmethylene]ethane-1,2-diamine 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 7.0h， 生成 N,N'-bis(1,3-benzodioxol-5-ylmethyl)ethylenediamine
  参考文献：
  名称：

  Khan; Chawla, Gita, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 3, p. 653 - 663

  摘要：

  DOI：

文献信息

• Controlled oxidation of organic sulfides to sulfoxides under ambient conditions by a series of titanium isopropoxide complexes using environmentally benign H2O2 as an oxidant
  作者：Manas K. Panda、Mobin M. Shaikh、Prasenjit Ghosh

  DOI：10.1039/b921720g

  日期：——

  substrate catalyzed by 4b, suggested that the reaction proceeds via a titanium peroxo intermediate 4c′, which displays an activation barrier of 22.5 kcal mol−1 (ΔG‡) for the overall catalytic cycle in undergoing an attack by the S atom of the thioanisole substrate at its σ*-orbital of the peroxo moiety. The formation of the titanium peroxo intermediate was experimentally corroborated by a mild ionization

  通过一系列的方法已经实现了在环境条件下将有机硫化物氧化为亚砜的控制。 异丙氧基钛使用对环境无害的H 2 O 2作为主要氧化剂的配合物。具体地，[[ N，N'-双（2-氧代-3-R 1 -5-R 2-苯甲基）-N，N'-双（亚甲基-R 3）-乙二胺] Ti（O i Pr）2 [R 1 =Ť -Bu，R 2＝ Me，R 3＝ C 7 H 5 O 2（1b）；R 1 = R 2 =Ť -Bu，R 3＝ C 7 H 5 O 2（2b）；R 3＝ C 7 H 5 O 2（2b）。R 1 = R 2 =氯，R 3 = C 7 H 5 O 2（3b）和R 1 = R 2 =氯，R 3＝ C 6 H 5（4b）]络合物使用H 2 O 2水溶液作为氧化剂，在反应时间的30分钟内，在室温下有效地催化了有机硫化物向亚砜的硫氧化反应。机械通路，使用密度泛函理论为代表进行建模硫代苯甲醚4b催化的底物表明该反应通过过氧钛中间体4c
• 5-Membered Heterocyclic Compounds Derived from Piperonal. I. A Study of the Reactions between Piperonal and 1,2-Diamines
  作者：PETER F. EPSTEIN

  DOI：10.1021/jo01083a021

  日期：1959.1
• Heterocyclic diamines and salts thereof
  申请人：AMERICAN HOME PROD

  公开号：US02876236A1

  公开（公告）日：1959-03-03
• Synthesis of novel tetrahydroimidazole derivatives and studies for their biological properties
  作者：Vibha Sharma、M.S.Y Khan

  DOI：10.1016/s0223-5234(01)01256-9

  日期：2001.8

  Ethylenediamine was reacted with suitable aromatic aldehydes in order to prepare their respective diSchiff bases. These compounds were then reduced to give the corresponding tetrahydrodiSchiff bases, which were low melting in nature. Finally, these derivatives were condensed with different aromatic aldehydes to give the desired tetrahydroimidazoles. The structures of all these compounds were established on the basis of spectral data. These novel tetrahydroimidazoles showed promising anti-inflammatory and analgesic activity. The compounds were also screened for their anti-bacterial property against Staphylococcus aureus and Escherichia coli. (C) 2001 Editions scientifiques et medicales Elsevier SAS.
• Khan; Chawla, Gita, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 3, p. 653 - 663
  作者：Khan、Chawla, Gita

  DOI：——

  日期：——