N,N-双[(苯并三唑-1-基)甲基]甲胺 | 111184-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 中文名称: N,N-双[(苯并三唑-1-基)甲基]甲胺
• 英文名称: N,N-bis[(benzotriazol-1-yl)methyl]methylamine
• 英文别名: 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine
• CAS: 111184-77-1
• 化学式: C₁₅H₁₅N₇
• 分子量: 293.331
• InChiKey: XUPOVPOFMRZGOV-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  517.1±35.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 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-双[(苯并三唑-1-基)甲基]甲胺 在 乙酸酐 、 溶剂黄146 、 sodium nitrite 作用下， 反应 6.0h， 以56%的产率得到N-[(benzotriazol-1-yl)methyl]-N-nitrosomethylamine
  参考文献：
  名称：

  摘要：

  The reactions of isatin. benzotriazole. and succinimide with formaldehyde and methylamine yield monoamines RCH2N(Me)CH2R and methylenediamines RCH2N(Me)CH2N(Me)CH2R. The use of ethylenediamine as the amino component affords N,N'-disubstituted imidazolidines, while the reactions with 3-aminopropan-1-ol give N-substituted tetrahydro-1,3-oxazines. RCH2NBu21 was obtained from succinimide. formaldehyde, and diisobutylamine. Nitrosative cleavage of the amines obtained was studied: it was shown that monoamines and methylenediamines give N-nitrosoamines RCH2N(NO)Me, which were structurally characterized by X-ray diffraction analysis, RCH2NBu21 affords diisobutylnitrosamine. while imidazolidines transform into dinitroso compounds RCH2N(NO)CH2CH2N(NO)CH2R.

  DOI：

  10.1023/a:1013094720611
• 作为产物：
  描述：

  1H-苯并三唑-1-甲醇 、 甲胺 以 乙醇 、 溶剂黄146 为溶剂， 反应 0.03h， 以76%的产率得到N,N-双[(苯并三唑-1-基)甲基]甲胺
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• Katritzky, Alan R.; Yannakopoulou, Konstantina; Lue, Ping, Journal of the Chemical Society. Perkin transactions I, 1989, p. 225 - 233
  作者：Katritzky, Alan R.、Yannakopoulou, Konstantina、Lue, Ping、Rasala, Danuta、Urogdi, Laszlo

  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, ALAN R.;YANNAKOPOULOU, KONSTANTINA;LUE, PING;RASALA, DANUTA;UR+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 225-233
  作者：KATRITZKY, ALAN R.、YANNAKOPOULOU, KONSTANTINA、LUE, PING、RASALA, DANUTA、UR+

  DOI：——

  日期：——
• 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：——
• ——
  作者：A. G. Korepin、P. V. Galkin、N. M. Glushakova、V. P. Lodygina、I. L. Eremenko、S. E. Nefedov、L. T. Eremenko

  DOI：10.1023/a:1013094720611

  日期：——

  The reactions of isatin. benzotriazole. and succinimide with formaldehyde and methylamine yield monoamines RCH2N(Me)CH2R and methylenediamines RCH2N(Me)CH2N(Me)CH2R. The use of ethylenediamine as the amino component affords N,N'-disubstituted imidazolidines, while the reactions with 3-aminopropan-1-ol give N-substituted tetrahydro-1,3-oxazines. RCH2NBu21 was obtained from succinimide. formaldehyde, and diisobutylamine. Nitrosative cleavage of the amines obtained was studied: it was shown that monoamines and methylenediamines give N-nitrosoamines RCH2N(NO)Me, which were structurally characterized by X-ray diffraction analysis, RCH2NBu21 affords diisobutylnitrosamine. while imidazolidines transform into dinitroso compounds RCH2N(NO)CH2CH2N(NO)CH2R.