N,N’-甲四基二[4-[(4-异氰酸根合苯基)甲基]-苯胺 | 79864-11-2

• 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: N,N’-甲四基二[4-[(4-异氰酸根合苯基)甲基]-苯胺
• 英文名称: Benzenamine, N,N'-methanetetraylbis(4-((4-isocyanatophenyl)methyl)-
• CAS: 79864-11-2
• 化学式: C₂₉H₂₀N₄O₂
• 分子量: 456.503
• InChiKey: XQEYCSCKVVDCTG-UHFFFAOYSA-N

物化性质

• 沸点：
  634.2±55.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,4'-二苯甲烷二异氰酸酯、2,4'-二苯甲烷二异氰酸酯和2,2'-二苯甲烷二异氰酸酯的混合物 、 N,N’-甲四基二[4-[(4-异氰酸根合苯基)甲基]-苯胺 生成 1,3-Diazetidin-2-one, 1,3-bis(4-((4-isocyanatophenyl)methyl)phenyl)-4-((4-((4-isocyanatophenyl)methyl)phenyl)imino)-
  参考文献：
  名称：

  IVANOV, M. G.;GOLOV, V. G.;ROGULEV, V. A.;MUSHKIN, YU. I.;VODOPYANOV, V. +, XIM. PROM-ST,(1988) N 4, 208-210

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N',N''-tri(isocyanatephenylmethyl)isocyanurate 生成 N,N’-甲四基二[4-[(4-异氰酸根合苯基)甲基]-苯胺
  参考文献：
  名称：

  Thermal Stability and Thermal Degradation Reaction Kinetics of 4,4'-Diphenylmethane Diisocyanatetrimer

  摘要：

  以 2,4,6-三（二甲基氨基甲基）苯酚（DMP-30）为催化剂合成了 4,4-二苯基甲烷二异氰酸酯（MDI）的三聚体。利用热重分析仪分别研究了 MDI 及其三聚体的热稳定性和 MDI 三聚体的热降解反应动力学。用 X 射线衍射、傅立叶变换红外光谱和热重分析法对 MDI 三聚体的性质和结构进行了表征。用小泽法获得了三聚体降解反应的活化能。结果表明，三聚体在热降解过程中分为两个阶段，第一和第二阶段的表观活化能分别为 200.99 和 259.94 kJ/mol。

  DOI：

  10.14233/ajchem.2014.17278

文献信息

• IVANOV, M. G.;GOLOV, V. G.;ROGULEV, V. A.;MUSHKIN, YU. I.;VODOPYANOV, V. +, XIM. PROM-ST,(1988) N 4, 208-210
  作者：IVANOV, M. G.、GOLOV, V. G.、ROGULEV, V. A.、MUSHKIN, YU. I.、VODOPYANOV, V. +

  DOI：——

  日期：——
• METHOD OF PRODUCING A URETONIMINE-MODIFIED ISOCYANATE COMPOSITION
  申请人：BASF SE

  公开号：EP2046858A1

  公开（公告）日：2009-04-15
• URETONIMINE-MODIFIED ISOCYANATE COMPOSITION AND METHOD OF FORMING THE SAME
  申请人：SAVINO THOMAS

  公开号：US20070213432A1

  公开（公告）日：2007-09-13

  A uretonimine-modified isocyanate composition having reduced color and a method of forming the same is disclosed. The method of forming the uretonimine-modified isocyanate composition comprises providing a polyisocyanate composition having two or more isocyanate groups and reacting the polyisocyanate composition at a temperature in a range of from about 80° C. to about 130° C. and in the presence of a catalyst. The reaction of the polyisocyanate composition is quenched with a quenching agent and a color inhibitor having a low basicity and having at least one hindered amine group is added. The uretonimine-modified isocyanate composition has a color value corresponding to an a* value of greater than about −10 and a b* value less than about 10 as defined by CIE L*a*b* (CIELAB) Color Space Specification and undergoes a % NCO group decrease of less than about 6 %.
• Method Of Producing A Uretonimine-Modified Isocyanate Composition
  申请人：Savino Thomas

  公开号：US20080021176A1

  公开（公告）日：2008-01-24

  A method produces a uretonimine-modified isocyanate composition having increased low-temperature tolerance. The method comprises providing a first polyisocyanate composition having two or more isocyanate groups and comprising 4,4′-diphenylmethane diisocyanate (MDI) and reacting the first polyisocyanate composition at a temperature of from about 90° C. to about 115° C. and in the presence of a catalyst such that the isocyanate groups form carbodiimides for forming uretonimine and uretonimine oligomers. The reaction of the first polyisocyanate composition is quenched with a quenching agent to produce an intermediate composition having an intermediate isocyanate value of from about 21.0 to about 26.0. The intermediate composition is blended with a second isocyanate composition to form a stable uretonimine-modified isocyanate composition.
• Uretonimine-Modified Isocyanate Composition and Method of Forming the Same
  申请人：Savino Thomas

  公开号：US20090143542A1

  公开（公告）日：2009-06-04

  A uretonimine-modified isocyanate composition has reduced color. The uretonimine-modified isocyanate composition comprises a polyisocyanate composition having two or more isocyanate groups and comprising 4,4′-diphenylmethane diisocyanate (MDI) and a catalyst for catalyzing a reaction of the isocyanate groups to form carbodiimides available for forming uretonimines and uretonimine oligomers. A first quenching agent partially quenches the reaction of the isocyanate groups to inhibit formation of the carbodiimides thereby inhibiting additional formation of uretonimines and uretonimine oligomers and a second quenching agent different than the first quenching agent quenches the reaction of the isocyanate groups to further inhibit formation of the carbodiimides thereby further inhibiting additional formation of uretonimines and uretonimine oligomers. A method of forming the uretonimine-modified isocyanate composition is also disclosed.