N,N-bis(benzotriazolylmethyl)propylamine | 111184-79-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: N,N-bis(benzotriazolylmethyl)propylamine
• 英文别名: Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine；N,N-bis(benzotriazol-1-ylmethyl)propan-1-amine
• CAS: 111184-79-3
• 化学式: C₁₇H₁₉N₇
• 分子量: 321.385
• InChiKey: PNRXINXFDMOFCG-UHFFFAOYSA-N

物化性质

• 熔点：
  106-108 °C(Solv: tetrahydrofuran (109-99-9))
• 沸点：
  531.3±35.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N-bis(benzotriazolylmethyl)propylamine 、 硫代苯甲酰胺 在 zinc dibromide 作用下， 以 二氯甲烷 为溶剂， 反应 60.0h， 以50%的产率得到3-propyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazine
  参考文献：
  名称：

  Synthesis of 3,4-Dihydro-2H-1,3,5-thiadiazines

  摘要：

  3,4-Dihydro-2H-1,3,5-thiadiazines substituted at the 3 and 6 positions were synthesized by treatment of N-substituted N,N-bis(1H-1,2,3-benzotriazol-1-ylmethyl)-amines with thioamides and zinc bromide in dry CH2Cl2 at room temperature for 48-60 h in 48-80% yields.

  DOI：

  10.1021/jo020033s
• 作为产物：
  描述：

  正丙胺 、 1H-苯并三唑-1-甲醇 以 甲苯 为溶剂， 以80%的产率得到N,N-bis(benzotriazolylmethyl)propylamine
  参考文献：
  名称：

  Synthesis of 3,4-Dihydro-2H-1,3,5-thiadiazines

  摘要：

  3,4-Dihydro-2H-1,3,5-thiadiazines substituted at the 3 and 6 positions were synthesized by treatment of N-substituted N,N-bis(1H-1,2,3-benzotriazol-1-ylmethyl)-amines with thioamides and zinc bromide in dry CH2Cl2 at room temperature for 48-60 h in 48-80% yields.

  DOI：

  10.1021/jo020033s

文献信息

• Katritzky, Alan R.; Rachwal, Stanislaw; Rachwal, Bogumila, Journal of the Chemical Society. Perkin transactions I, 1987, p. 799 - 804
  作者：Katritzky, Alan R.、Rachwal, Stanislaw、Rachwal, Bogumila

  DOI：——

  日期：——
• Benzotriazole Mediated Synthesis of Some 5-Alkyl-Dihydro-4H-1,3,5-Dithiazines
  作者：Naseem Peerzada、Ian Neely

  DOI：10.1080/00397910008087380

  日期：2000.2

  An efficient synthesis of N-substituted dihydro-4H-1,3,5-dithiazines is described. N,N-Bis(benzotriazolylmethyl) alkylamines 1 smoothly under go cyclisation reaction in the presence of formaldehyde and hydrogen sulfide to give 5-substituted dihydro-4H-1,3,5-dithiazines 2.
• KATRITZKY A. R.; RACHWAL S.; RACHWAL B., J. CHEM. SOC. PERKIN TRANS.,(1987) N 4, 799-804
  作者：KATRITZKY A. R.、 RACHWAL S.、 RACHWAL B.

  DOI：——

  日期：——
• Synthesis of 3,4-Dihydro-2<i>H</i>-1,3,5-thiadiazines
  作者：Alan R. Katritzky、Anatoliy V. Vakulenko、Yong-Jiang Xu、Peter J. Steel

  DOI：10.1021/jo020033s

  日期：2002.7.1

  3,4-Dihydro-2H-1,3,5-thiadiazines substituted at the 3 and 6 positions were synthesized by treatment of N-substituted N,N-bis(1H-1,2,3-benzotriazol-1-ylmethyl)-amines with thioamides and zinc bromide in dry CH2Cl2 at room temperature for 48-60 h in 48-80% yields.