Benzenecarboximidamide, N-chloro-N'-(4-methylphenyl)- | 66275-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzenecarboximidamide, N-chloro-N'-(4-methylphenyl)-
• 英文别名: N-chloro-N'-p-tolylbenzamidine
• CAS: 66275-61-4
• 化学式: C₁₄H₁₃ClN₂
• 分子量: 244.72
• InChiKey: OYJSYNKXPNSPIK-UHFFFAOYSA-N

物化性质

• 熔点：
  78 °C(Solv: isopropyl ether (108-20-3))
• 沸点：
  367.1±35.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Benzenecarboximidamide, N-chloro-N'-(4-methylphenyl)- 在 吡啶 、 二氯化硫 作用下， 以 苯 为溶剂， 反应 3.25h， 生成 7-methyl-1-morpholino-3-phenyl-1λ⁴,2,4-benzothiadiazine
  参考文献：
  名称：

  Levchenko, E. S.; Borovikova, G. S.; Borovik, E. I., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 176 - 181

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(4-甲基苯基)苯甲脒 在 次氯酸叔丁酯 作用下， 以 苯 为溶剂， 反应 24.0h， 以90%的产率得到Benzenecarboximidamide, N-chloro-N'-(4-methylphenyl)-
  参考文献：
  名称：

  Levchenko, E. S.; Borovikova, G. S.; Borovik, E. I., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 176 - 181

  摘要：

  DOI：

文献信息

• N-haloamidines. VII. 4-amino-5-chloroimidazoles and 4-amino-5-unsubstituted imidazoles from N-chloro-N′-arylbenzamidines and 1,1-diaminoethenes
  作者：Elisabetta Rossi、Elena Pini

  DOI：10.1016/0040-4020(96)00365-1

  日期：1996.6

  N-chloro-N′-arylbenzamidines react with 1,1-diaminoethenes to give in good yields 4-amino-5-chloroimidazoles. The behaviour of these compounds in some nucleophilic substitution reactions and their reduction to 4-amino-5-unsubstituted imidazoles is reported.

  N-氯-N'-芳基苯甲m与1,1-二氨基乙烯反应，可产生高产率的4-氨基-5-氯咪唑。据报道这些化合物在某些亲核取代反应中的行为及其还原为4-氨基-5-未取代的咪唑。
• Quinazolines by electrocyclic ring closure of 1,3-diaza-1,3-dienes
  作者：Elisabetta Rossi、Giuseppe Celentano、Riccardo Stradi、Alberto Strada

  DOI：10.1016/s0040-4039(00)94659-8

  日期：1990.1

  N-imidoyliminotripheny]phosphorane reacts with aliphatic and aromatic aldehydes to give an 1,3-diaza-1,3-diene intermediate 3,4-dihydro quinazolines and quinazolines. The ratio between the reaction products depends from the aldehyde employed.

  N-亚氨基亚氨基三苯基]膦烷与脂族和芳族醛反应，生成1,3-二氮杂-1,3-二烯中间体3,4-二氢喹唑啉和喹唑啉。反应产物之间的比例取决于所用的醛。
• N-Chlorosuccinimide/Sodium Hydroxide-Mediated Synthesis of Benzimidazoles from Amidines under Mild Conditions
  作者：Thanh Binh Nguyen、Ali Al-Mourabit、Ludmila Ermolenko

  DOI：10.3987/com-12-s(n)53

  日期：——

  A convenient room-temperature one-pot procedure for the preparation of benzimidazoles derivatives from N-arylamidines has been developed. The reaction of N-aryl-N'-chloro amidines, generated by the treatment of N-arylamidines with N-chlorosuccinimide, in presence of sodium hydroxide provides benzimidazoles in good to excellent yields. Nitrogen anion generated in situ from succinimide (by-product of the chlorination step using NCS) and hydroxide anion was found to be highly effective as Bronsted base to promote the cyclization into benzimidazole of N-aryl-N'-chloroamidine.
• Synthesis and biological activity of novel antibacterial quinazolines
  作者：Preet M.S. Bedi、V. Kumar、Mohinder P. Mahajan

  DOI：10.1016/j.bmcl.2004.07.065

  日期：2004.10

  Novel quinazolines, having interesting antibacterial activity have been prepared, characterized and tested against a panel of susceptible and resistant Gram positive and Gram negative organisms. (C) 2004 Elsevier Ltd. All rights reserved.
• Borovikova, G. S.; Tsymbal, I. F.; Levchenko, E. S., Journal of Organic Chemistry USSR (English Translation), 1984, p. 1626 - 1631
  作者：Borovikova, G. S.、Tsymbal, I. F.、Levchenko, E. S.、Borovik, E. I.

  DOI：——

  日期：——