N,N',N''-tri(isocyanatephenylmethyl)isocyanurate | 31142-88-8

• 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: N,N',N''-tri(isocyanatephenylmethyl)isocyanurate
• 英文别名: 1,3,5-Tris[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3,5-triazinane-2,4,6-trione
• CAS: 31142-88-8
• 化学式: C₄₅H₃₀N₆O₆
• 分子量: 750.77
• InChiKey: FQEDRLHTNFIUCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  57
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  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
• 作为产物：
  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 在 C₃₀H₂₈AlN₃O₃ 作用下， 反应 48.0h， 以90%的产率得到N,N',N''-tri(isocyanatephenylmethyl)isocyanurate
  参考文献：
  名称：

  铝催化的异氰酸酯三聚，通过利用动态配位球来增强† ‡

  摘要：

  主族金属固有地不稳定，从而阻碍了其在催化中的使用。我们在异氰脲酸酯的合成中利用了这种不稳定性。我们首次报道了一种高活性催化剂，该催化剂使用半不稳定的铝-吡啶基-双（亚氨基酚）络合物，在温和条件下以较低的催化剂载量三聚化烷基，烯丙基和芳基异氰酸酯，二异氰酸酯。

  DOI：

  10.1039/c9cc03339d

文献信息

• MONOMERS COMPRISING AT LEAST ONE 4-(2-OXYETHYLIDENE)-1,3-DIOXOLAN-2-ONE UNIT AND USE THEREOF
  申请人：BASF SE

  公开号：EP3569597A1

  公开（公告）日：2019-11-20

  The present invention relates to a compound of formula (I) wherein R1 is hydrogen or an organic radical having from 1 to 100 carbon atoms, R2, R3 independently of one another are hydrogen or an organic radical having from 1 to 100 carbon atoms, Z is a chemical single bond or a divalent organic group having from 1 to 100 carbon atoms, A is a (n+m)-valent organic group having from 1 to 1 000 000 carbon atoms, X is a chemical single bond or a divalent organic group having from 1 to 40 carbon atoms, n is an integer from 1 to 1000, m is 0, 1 or 2, wherein the sum of n + m is an integer from 2 to 1002. The present invention further relates to processes for preparing compounds of formula (I), to specific 4-oxy-but-2-yn-1-ol derivatives as starting materials for the preparation of compounds of formula (I), to the use of the compound of formula (I) as intermediate or crosslinker or as monomer in polymerization reactions or in oligomerization reactions, to two-component compositions comprising as a first component at least one compound of formula (I), as a second component at least one multifunctional hardener, to polymers formed from one or more monomers, wherein at least one monomer is a compound of formula (I) and to the use of any compound described before as an intermediate for the preparation of polyunsaturated compounds by reacting a (oligo/poly)-functional nucleophile with a compound of formula (I).

  本发明涉及一种式 (I) 的化合物 其中 R1 是氢或具有 1 至 100 个碳原子的有机基，R2、R3 相互独立地是氢或具有 1 至 100 个碳原子的有机基，Z 是化学单键或具有 1 至 100 个碳原子的二价有机基团、A 是具有 1 至 1 000 000 个碳原子的 (n+m)-valent 有机基团，X 是化学单键或具有 1 至 40 个碳原子的二价有机基团，n 是 1 至 1000 的整数，m 是 0、1 或 2，其中 n+m 之和是 2 至 1002 的整数。 本发明进一步涉及制备式（I）化合物的工艺，涉及作为制备式（I）化合物的起始原料的特定 4-氧代丁-2-炔-1-醇衍生物，涉及在聚合反应或低聚反应中使用式（I）化合物作为中间体或交联剂或单体，涉及双组分组合物，该组合物包含作为第一组分的至少一种式（I）化合物、作为第二组分的至少一种多功能固化剂；由一种或多种单体（其中至少一种单体为式（I）化合物）形成的聚合物；以及使用前述任何化合物作为中间体，通过（寡/多）官能团亲核物与式（I）化合物反应制备多不饱和化合物。
• POLYAMINE POLYAROMATIQUE SOUFREE UTILISABLE POUR LA SYNTHESE DE POLYUREE
  申请人：Compagnie Générale des Etablissements Michelin

  公开号：EP2912014B1

  公开（公告）日：2016-12-14
• US20150259463A1
  申请人：——

  公开号：US20150259463A1

  公开（公告）日：2015-09-17
• SULPHUR-COMPRISING POLYAROMATIC POLYAMINE THAT CAN BE USED IN THE SYNTHESIS OF POLYUREA
  申请人：COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN

  公开号：US20150274878A1

  公开（公告）日：2015-10-01

  A sulphur-comprising polyaromatic polyamine compound can be used as a monomer or prepolymer, when n is different from zero, in the synthesis of polyurea. The compound corresponds to the formula (I): H 2 N—Ar 1 —NH—CH 2 —CH(OH)—(CH 2 ) m —O—Z 1 —O—(CH 2 ) m —CH(OH)—CH 2 —[X] n —HN—Ar 2 —NH 2 in which X represents the string: —HN—Ar 3 —NH—(CH 2 )—CH(OH)—(CH 2 ) m —O—Z 2 —O—(CH 2 ) m —CH(OH)—(CH 2 )— and in which n represents an integer equal to zero or different from zero; m, which are identical or different, represent an integer within a range from 1 to 10; Z 1 and Z 2 , which are identical or different, represent a divalent bonding group comprising from 1 to 30 carbon atoms; and Ar 1 , Ar 2 and Ar 3 , which are identical or different, each represent a phenylene group, at least one of these phenylene groups bearing one, two, three or four groups of formula —S x —R in which “x” is an integer from 1 to 8 and R represents hydrogen or a hydrocarbon group which can comprise a heteroatom and which comprises from 1 to 10 carbon atoms.
• POLYMER WITH URETHANE OR THIOURETHANE UNITS FOR USE, IN PARTICULAR, AS AN ADHESION PRIMER FOR BONDING METAL TO RUBBER
  申请人：COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN

  公开号：US20160122460A1

  公开（公告）日：2016-05-05

  A polymer has urethane or thiourethane units, which can be used, in particular, as an adhesion primer for the adhesive bonding of metal or glass to rubber. The polymer comprises base units comprising at least a sub-unit of formula —X 1 —CO—NH— in which X 1 respectively represents O or S, and additional units comprising at least a secondary alcohol function and a thioether function in the α position relative to the alcohol function. The polymer can be used as an adhesion primer for the adhesive bonding of a substrate, for example glass or metal, to an unsaturated rubber, or as a corrosion-resistant protective coating for a metal substrate. A metal reinforcer, such as wire, cord, film or plate, can be coated with the polymer.