三甲基六亚甲基二异氰酸酯 | 195456-49-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 三甲基六亚甲基二异氰酸酯
• 中文别名: 三甲基己二异氰酸酯；三甲基己基二异氰酸酯；二异氰酸三甲基六亚甲基酯
• 英文名称: trimethyl hexamethylene diisocyanate
• 英文别名: trimethylhexamethylene 1,6-diisocyanate；trimethyl-hexamethylene diisocyanate；trimethylhexamethylene diisocyanate；trimethyl-1,6-diisocyanatohexane；trimethyl-1,6-hexanediisocyanate；1,6-diisocyanato-5,6-dimethylheptane
• CAS: 195456-49-6；28679-16-5
• 化学式: C₁₁H₁₈N₂O₂
• 分子量: 210.276
• InChiKey: VZXPHDGHQXLXJC-UHFFFAOYSA-N

物化性质

• 沸点：
  283.8±23.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三甲基六亚甲基二异氰酸酯 、 1,6-己二异氰酸酯 生成 4,4-二异氰酸酯二环己基甲烷
  参考文献：
  名称：

  LINEAR GLYCIDYL CARBAMATE (GC) RESINS FOR HIGHLY FLEXIBLE COATINGS

  摘要：

  本发明涉及一种包含线性环氧丙烯酸酯（GC）树脂和固化剂的涂料组合物。线性GC树脂使用线性和环脂肪族二异氰酸酯以及二元醇和可选的三元醇与环氧丙醇一起合成。线性二异氰酸酯和二元醇的组合在GC树脂组合物中引入了更线性的结构。

  公开号：

  US20150099128A1

文献信息

• Polymeric coupling agents and pharmaceutically-active polymers made therefrom
  申请人：Santerre J. Paul

  公开号：US20050255082A1

  公开（公告）日：2005-11-17

  A pharmaceutically-active polymeric compound of the general formula (I), Y-[Y n -LINK B-X] m -LINK B  (I) wherein (i) X is a coupled biological coupling agent of the general formula (II) Bio-LINK A-Bio  (II) wherein Bio is a biologically active agent fragment or precursor thereof linked to LINK A through a hydrolysable covalent bond; and LINK A is a coupled central flexible linear first segment of <2000 theoretical molecular weight linked to each of said Bio fragments; (ii) Y is LINK B-OLIGO; wherein (a) LINK B is a coupled second segment linking one OLIGO to another OLIGO and an OLIGO to X or precursor thereof; and (b) OLIGO is a short length of polymer segment having a molecular weight of less than 5,000 and comprising less than 100 monomeric repeating units; (iii) m is 1-40; and (iv) n is selected from 2-50. The compounds are useful as biomaterials, particularly, providing antibacterial activity in vivo. Also provided are biological coupling agents useful as intermediates in the preparation of the pharmaceutically-active polymeric compounds.

  一种具有一般式（I）的药用活性聚合物化合物， Y-[Y n -LINK B-X] m -LINK B  （I） 其中（i）X是一种偶联的生物偶联剂，具有一般式（II） Bio-LINK A-Bio  （II） 其中Bio是与LINK A通过可水解共价键连接的生物活性剂片段或其前体；而LINK A是与每个Bio片段连接的理论分子量小于2000的偶联中心柔性线性第一段；（ii）Y是LINK B-OLIGO；其中（a）LINK B是将一个OLIGO与另一个OLIGO以及一个OLIGO与X或其前体连接的偶联的第二段；（b）OLIGO是具有分子量小于5,000且包含少于100个单体重复单元的短聚合物段；（iii）m为1-40；（iv）n从2-50中选择。这些化合物可用作生物材料，特别是在体内提供抗菌活性。还提供了作为药用活性聚合物化合物制备中间体的生物偶联剂。
• [EN] URAZOLE COMPOUNDS<br/>[FR] COMPOSÉS URAZOLE
  申请人：UNIV GENT

  公开号：WO2015018928A1

  公开（公告）日：2015-02-12

  The present invention relates to a compound of formula (I) or a stereoisomer, enantiomer, racemic, or tautomer thereof, (I) wherein R1, R2, R3, R4, R5, R6, R7, L1 and Q1 have the meaning defined in the claims and the description. The present invention also relates to a process for the preparation of the compound of formula (I). The present invention also relates to the use of a compound of formula (I) as an in situ precursor of a triazolinedione reagent for the functionalization of enes, dienes, aryl and heteroaryl systems via the ene reactions, Diels-Alder reactions, and electrophilic aromatic substitution reactions of said reagent. The present invention also relates to the use of a compound of formula (I) in polymers, membranes, adhesives, foams, sealants, molded articles, films, extruded articles, fibers, elastomers, polymer based additives, pharmaceutical and biomedical products, varnishes, paints, coatings, inks, composite material, organic LEDs, organic semiconductors, conducting organic polymers, or 3D printed articles. The present invention also relates to article comprising said compound of formula (I) and to a process for reshaping and/or repairing said article.

  本发明涉及式(I)的化合物或其立体异构体、对映异构体、消旋体或互变异构体，其中R1、R2、R3、R4、R5、R6、R7、L1和Q1在权利要求和说明书中定义的含义。本发明还涉及制备式(I)化合物的方法。本发明还涉及将式(I)化合物用作三唑烯二酮试剂的原位前体，用于通过烯反应、迪尔斯-阿尔德反应和该试剂的亲电芳烃取代反应对烯烃、二烯烃、芳基和杂环芳基体系进行官能化。本发明还涉及将式(I)化合物用于聚合物、膜、粘合剂、泡沫、密封剂、成型制品、薄膜、挤出制品、纤维、弹性体、基于聚合物的添加剂、药用和生物医学产品、清漆、油漆、涂料、油墨、复合材料、有机发光二极管、有机半导体、导电有机聚合物或3D打印制品的用途。本发明还涉及包含所述式(I)化合物的物品以及对所述物品进行重塑和/或修复的方法。
• COMPOSITIONS COMPRISING A POLYMERIC NETWORK
  申请人：UNIVERSITEIT GENT

  公开号：US20170327625A1

  公开（公告）日：2017-11-16

  The present invention relates to a composition comprising a polymeric network having at least one unit of formula (I), (II), and/or (III); (I) (II) (III) wherein said composition is obtained by contacting at least one compound A comprising at least two functions selected from the group of function of formula X—C(═O)—CHR 1 —C(═O)—R 2 , —C(═O)—C—R 2 ; or —C(═O)—CR 1 ═CR 2 —NR 4 R 5 ; wherein at least 25% by weight of compounds A have a functionality ≦5, with % by weight relative to the total weight of compounds A; with at least one compound B comprising at least one NH 2 , or NH 3 + groups; wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , L 1 and L 2 have the same meaning as that defined in the claims. The present invention also relates to a compound comprising at least two units and at most 5 units of formula (I), (II), and/or (III); wherein R 1 , R 2 , R 3 , X, L 1 and L 2 have the same meaning as that defined in the claims. The present invention also relates to processes for preparing said composition and said compounds, to material, articles, and polymers comprising or using said compositions and compounds, and the use thereof.

  本发明涉及一种组合物，其包括至少一种具有式(I)、(II)和/或(III)的聚合网络单元；其中所述组合物是通过接触至少一种化合物A而获得的，所述化合物A包括至少两种选自以下功能组的功能：X—C(═O)—CHR1—C(═O)—R2，—C(═O)—C—R2；或—C(═O)—CR1═CR2—NR4R5；其中化合物A的至少25%的重量具有功能性≦5，以重量百分比相对于化合物A的总重量计算；以及至少一种包括至少一个NH2或NH3+基团的化合物B；其中X、R1、R2、R3、R4、R5、L1和L2的含义与权利要求书中定义的含义相同。本发明还涉及一种化合物，其包括至少两个单元和最多5个式(I)、(II)和/或(III)的单元；其中R1、R2、R3、X、L1和L2的含义与权利要求书中定义的含义相同。本发明还涉及制备所述组合物和所述化合物的方法，以及包括或使用所述组合物和化合物的材料、物品和聚合物，以及其用途。
• AROMATIC SUBSTITUTED METHANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS
  申请人：Facebook Technologies, LLC

  公开号：US20210155584A1

  公开（公告）日：2021-05-27

  The disclosure provides recording materials including aromatic substituted methane-core derivatized monomers and polymers for use in volume Bragg gratings, including, but not limited to, volume Bragg gratings for holography applications. Several structures are disclosed for monomers and polymers for use in Bragg gratings applications leading to materials with higher refractive index, low birefringence, and high transparency. The disclosed derivatized monomers and polymers thereof can be used in any volume Bragg gratings materials, including two-stage polymer materials where a matrix is cured in a first step, and then the volume Bragg grating is written by way of a second curing step of a monomer.

  披露提供了包括芳香取代甲烷核衍生单体和聚合物在内的记录材料，用于体积布拉格光栅，包括但不限于用于全息应用的体积布拉格光栅。披露了用于布拉格光栅应用的单体和聚合物的几种结构，导致具有较高折射率、低双折射和高透明度的材料。披露的衍生单体和聚合物可以用于任何体积布拉格光栅材料，包括两阶段聚合物材料，其中矩阵在第一步中固化，然后通过单体的第二次固化步骤编写布拉格光栅。
• AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS
  申请人：Facebook Technologies, LLC

  公开号：US20210155599A1

  公开（公告）日：2021-05-27

  The disclosure provides recording materials including aromatic substituted alkane-core derivatized monomers and polymers for use in volume Bragg gratings, including, but not limited to, volume Bragg gratings for holography applications. Several structures are disclosed, including Formula I. When used in Bragg gratings applications, the monomers and polymers disclosed lead to materials with higher refractive index, low birefringence, and high transparency. The disclosed derivatized monomers and polymers can be used in any volume Bragg gratings materials, including two-stage polymer materials where a matrix is cured in a first step, and then the volume Bragg grating is written by way of a second curing step of a monomer.

  披露提供了包括芳香取代烷基核衍生单体和聚合物在内的记录材料，用于体积布拉格光栅，包括但不限于用于全息应用的体积布拉格光栅。披露了几种结构，包括式I。当在布拉格光栅应用中使用时，披露的单体和聚合物导致具有较高折射率、低双折射和高透明度的材料。披露的衍生单体和聚合物可用于任何体积布拉格光栅材料，包括两阶段聚合物材料，其中矩阵在第一步中固化，然后通过单体的第二次固化步骤编写布拉格光栅。