1,1-二乙基-3-(3-硝基苯基)脲 | 92902-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,1-二乙基-3-(3-硝基苯基)脲
• 英文名称: N,N-diethyl-N'-(3-nitro-phenyl)-urea
• 英文别名: N,N-Diaethyl-N'-(3-nitro-phenyl)-harnstoff；1,1-Diethyl-3-(3-nitrophenyl)urea
• CAS: 92902-51-7
• 化学式: C₁₁H₁₅N₃O₃
• mdl: MFCD00024346
• 分子量: 237.258
• InChiKey: MGLQHMGZCTZIJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  1,1-二乙基-3-(3-硝基苯基)脲 在 五氯化磷 、 四氯化钛 作用下， 以 苯 为溶剂， 反应 27.0h， 生成 7-nitro-2-N,N-diethylamino-4-N,N-dimethylamino-quinazoline
  参考文献：
  名称：

  Synthesis of 2,4-Diaminoquinazoline Derivatives

  摘要：

  A series of 6- and 7-substituted derivatives of 2-(N,N-diethylamino)-4-(N,N-dimethylamino)quinazoline have been synthesized. The synthesis consists in converting N-phenyl-N',N'-diethylurea into chloroamidines which are treated with N,N-dimethylcyanamide to 1-chloro-2,4-diaza-1,3-butadiene derivatives, followed by a cyclization to quinazoline derivatives.

  DOI：

  10.3987/com-97-8038
• 作为产物：
  描述：

  3-硝基苯异氢酸酯 、 二乙胺 以 苯 为溶剂， 反应 0.5h， 以69.5%的产率得到1,1-二乙基-3-(3-硝基苯基)脲
  参考文献：
  名称：

  Synthesis of 2,4-Diaminoquinazoline Derivatives

  摘要：

  A series of 6- and 7-substituted derivatives of 2-(N,N-diethylamino)-4-(N,N-dimethylamino)quinazoline have been synthesized. The synthesis consists in converting N-phenyl-N',N'-diethylurea into chloroamidines which are treated with N,N-dimethylcyanamide to 1-chloro-2,4-diaza-1,3-butadiene derivatives, followed by a cyclization to quinazoline derivatives.

  DOI：

  10.3987/com-97-8038

文献信息

• On the Thermal Dissociation of Organic Compounds. XII. The Effects of the Substituents on the Thermal Dissociation of Substituted Phenylureas
  作者：Shoichiro Ozaki、Tsutomu Nagoya

  DOI：10.1246/bcsj.30.444

  日期：1957.5

  synthesized. The rate constants and ρ values of thermal dissociation of these ureas in fatty acids were determined. In 1,1-diethyl-3-arylureas, the ρ value of the dissociation reaction at 95°C. in chloro-acetic acid was −0.196, and it may be concluded that the protonation process seems to be the rate-determining step in the dissociation reaction of ureas in fatty acid. The activation energy was compared with

  合成了 11 种新型脲，1,1-二乙基-3-芳基脲和 1-戊基-3-芳基脲。测定了这些尿素在脂肪酸中的热解离速率常数和 ρ 值。在 1,1-二乙基-3-芳基脲中，95°C 下解离反应的 ρ 值。在氯乙酸中为-0.196，可以得出结论，质子化过程似乎是尿素在脂肪酸中解离反应的决速步骤。将活化能与其他尿素进行比较。
• A study concerning the synthesis, basicity and hydrolysis of 4-amino-2-(<i>N</i>,<i>N</i>-diethylamino)quinazoline derivatives
  作者：Wojciech Zieliński、Agnieszka Kudelko

  DOI：10.1002/jhet.5570390627

  日期：2002.11

  Hydrolysis rates of 2-(N,N-diethylamino)-4-aminoquinazoline and 2-(N,N-diethylamino)-4-(N,N-dimethylamino)-quinazoline have been determined to observe the influence of substituents at the 4-amino group upon the hydrolysis. pKa values have been also determined for these compounds and analyzed in conjunction with the Hammett σ constants.

  在T 1 Cl 4作为催化剂的存在下，在N 1，N 1-二乙基-N 2-芳基氯羧am与氰胺的反应中，合成了一组2-（N，N-二乙基氨基）-4-氨基喹唑啉衍生物。这样的喹唑啉在较高的HCl水溶液中分解成相应的喹唑酮。2-（N，N-二乙基氨基）-4-氨基喹唑啉和2-（N，N-二乙基氨基）-4-（N，N已经确定了-（二甲基氨基）-喹唑啉以观察4-氨基上的取代基对水解的影响。PK一个值已被还确定了这些化合物和与所述哈米特σ常数结合进行分析。
• van Hoogstraten, Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 414,430
  作者：van Hoogstraten

  DOI：——

  日期：——
• Perveen, Shahnaz; Mustafa, Sana; Khan, Khalid Mohammed, Journal of the Chemical Society of Pakistan, 2010, vol. 32, # 2, p. 229 - 234
  作者：Perveen, Shahnaz、Mustafa, Sana、Khan, Khalid Mohammed

  DOI：——

  日期：——
• Synthesis of 2,4-Diaminoquinazoline Derivatives
  作者：Wojciech Zielinski、Agnieszka Kudelko、Elizabeth M. Holt

  DOI：10.3987/com-97-8038

  日期：——

  A series of 6- and 7-substituted derivatives of 2-(N,N-diethylamino)-4-(N,N-dimethylamino)quinazoline have been synthesized. The synthesis consists in converting N-phenyl-N',N'-diethylurea into chloroamidines which are treated with N,N-dimethylcyanamide to 1-chloro-2,4-diaza-1,3-butadiene derivatives, followed by a cyclization to quinazoline derivatives.