N,N-二丁基-7-硝基-4-苯并呋咱胺 | 74400-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 中文名称: N,N-二丁基-7-硝基-4-苯并呋咱胺
• 英文名称: N,N-Di-n-butyl-4-amino-7-nitrobenz-2,1,3-oxadiazol
• 英文别名: N,N-Dibutyl-7-nitro-4-benzofurazanamine；N,N-dibutyl-4-nitro-2,1,3-benzoxadiazol-7-amine
• CAS: 74400-49-0
• 化学式: C₁₄H₂₀N₄O₃
• 分子量: 292.338
• InChiKey: HBYRXKMOKIVRNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  88
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  二正丁胺 、 4-氯-7-硝基苯并-2-氧杂-1,3-二唑 以 乙醇 为溶剂， 反应 1.0h， 以50%的产率得到N,N-二丁基-7-硝基-4-苯并呋咱胺
  参考文献：
  名称：

  Heberer, H.; Kersting, H.; Matschiner, H., Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 3, p. 487 - 504

  摘要：

  DOI：

文献信息

• Heberer, H.; Kersting, H.; Matschiner, H., Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 3, p. 487 - 504
  作者：Heberer, H.、Kersting, H.、Matschiner, H.

  DOI：——

  日期：——
• HEBERER, H.;KERSTING, H.;MATSCHINER, H., J. PRAKT. CHEM., 1985, 327, N 3, 487-504
  作者：HEBERER, H.、KERSTING, H.、MATSCHINER, H.

  DOI：——

  日期：——
• Photophysical and Dynamic NMR Studies on 4-Amino-7-nitrobenz-2-oxa-1, 3-diazole Derivatives:  Elucidation of the Nonradiative Deactivation Pathway
  作者：Satyen Saha、Anunay Samanta

  DOI：10.1021/jp982154v

  日期：1998.10.1

  A series of 4-aminonitrobenzoxadiazole (NBD) derivatives in which the amino nitrogen is part of a four- to seven-membered heterocyclic ring and a second series of 4-dialkylamino NBD derivatives with different alkyl chain lengths have been prepared and fully characterized and their photophysical properties investigated in an attempt to find out the nonradiative deactivation pathway of the fluorescent state in these systems. It is observed that the fluorescence properties of the NBD derivatives are highly sensitive to the structure of the amino moiety and the polarity of the surrounding media. It is shown that the nonradiative rate constants for the derivatives with large alkyl groups and large ring systems are considerably higher than those for systems with smaller alkyl groups and smaller ring systems. Dynamic NMR experiments have been carried out to probe the internal motion in the systems. The internal rotation around the bond connecting the amino nitrogen and the NBD ring is found to be rather slow in the ground state. The rate for the internal rotation is found to be the highest for the six-membered ring, and this has been interpreted in terms of the partial double bond character of the C-N bond. The results of the experiments seem to indicate that inversion of the amino nitrogen plays the most important role in determining the fluorescence efficiency of the systems.