tolylene-2,4-n-butyl dicarbamide | 60903-52-8

• 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: tolylene-2,4-n-butyl dicarbamide
• 英文别名: 1,1'-(4-Methyl-1,3-phenylene)bis(3-butylurea)；1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
• CAS: 60903-52-8
• 化学式: C₁₇H₂₈N₄O₂
• 分子量: 320.435
• InChiKey: OCHXAFDXWVMHQC-UHFFFAOYSA-N

物化性质

• 熔点：
  277-280 °C(Solv: N,N-dimethylformamide (68-12-2))
• 沸点：
  428.4±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲苯-2,4-二异氰酸酯 以 甲苯 为溶剂， 反应 13.0h， 生成 tolylene-2,4-n-butyl dicarbamide
  参考文献：
  名称：

  Selective derivatization of oxime-blocked tolylene-2,4-diisocyanate

  摘要：

  A selective reaction of cyclohexanone oxime-blocked tolylene-2,4-diisocyanate (2,4-TDI) with amino siloxane was observed, in which amines were capable of discriminating two reactive groups in the 2,4-TDI molecule. Thus, tolylene-2-tert-butyldimethylsilyloxyethyl carbamide-4-cyclohexanone oxime carbamate was synthesized and its precise structure was determined by single-crystal X-ray diffraction. Moreover, it was found that oxime-blocked isocyanate could react selectively with the -NH2 group with the -OH group unprotected in ethanolamine. (C) 2013 Tian-Duo Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.06.013

文献信息

• IVANOV N. A.; VLASOVA R. V.; GONCHAROVA V. A.; SMIRNOV L. N., IZV. VYSSH. UCHEB. ZAVEDENIJ. XIMIYA I XIM. TEXNOL. <IVUK-AR>, 1976, 19, +
  作者：IVANOV N. A.、 VLASOVA R. V.、 GONCHAROVA V. A.、 SMIRNOV L. N.

  DOI：——

  日期：——