2-(6-isocyanatohexylaminocarbonylamino)-6-methyl-4-pyrimidinone | 320393-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(6-isocyanatohexylaminocarbonylamino)-6-methyl-4-pyrimidinone
• 英文别名: 6-[3-(6-methyl-4-oxo-1,4-dihydro-pyrimidin-2-yl)-ureido]-hexylisocyanate；2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone；2-(6-isocyanato-hexylamino)-6-methyl-4[1H]-pyrimidinone；1-(6-isocyanatohexyl)-3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)-urea；2(6-Isocyanatohexylaminocarbonylamino)-6-methyl-4[1h]pyrimidinone；1-(6-isocyanatohexyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
• CAS: 320393-85-9
• 化学式: C₁₃H₁₉N₅O₃
• 分子量: 293.326
• InChiKey: KMNKECSEFVPPNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(6-isocyanatohexylaminocarbonylamino)-6-methyl-4-pyrimidinone 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 为溶剂， 反应 12.6h， 生成
  参考文献：
  名称：

  [EN] SELF-REPAIRING BIOMIMETIC LUBRICANTS AND METHODS OF MAKING AND USING SAME
  [FR] LUBRIFIANTS MIMÉTIQUES À FONCTION D'AUTO-CICATRISATION ET PROCÉDÉS CORRESPONDANTS DE FABRICATION ET D'UTILISATION DE CEUX-CI

  摘要：

  本文披露了自修复仿生润滑剂化合物，包括含有该化合物的组合物以及制备和使用该化合物的方法。

  公开号：

  WO2022099059A1
• 作为产物：
  描述：

  2-amino-4-hydroxy-6-methylpyridine 、 1,6-己二异氰酸酯 反应 16.0h， 生成 2-(6-isocyanatohexylaminocarbonylamino)-6-methyl-4-pyrimidinone
  参考文献：
  名称：

  Micellization of ω-Functionalized Diblock Copolymers in Selective Solvent. Study on the Effect of Hydrogen Bonds

  摘要：

  Two series of omega-functionalized diblock copolymers polystyrene-b-polyisoprene, PS-PI, having hydroxyl end groups either at the PS (PI-PS-OH) or at the PI (PS-PI-OH) block were synthesized by living anionic polymerization. The samples had similar molecular weights but different compositions. Employing suitable post-polymerization reactions the hydroxyl groups were transformed to the corresponding 2-ureido-4-pyrimidinone (UPy) functions. The UPy group is known to dimerize strongly in a self-complementary array of four cooperative hydrogen bonds. The micellization properties of the unfunctionalized and the omega-functionalized polymers having either hydroxyl or UPy end groups were studied in n-decane, which is a selective solvent for the PI block, by static and dynamic light scattering and dilute solution viscometry. A distinct micellar behavior was obtained depending on the nature of the end group and their location either at the core-forming or the corona-forming block. To confirm the results regarding the effect of the hydrogen bonds the solid-state properties of the copolymers were studied by differential scanning calorimetry and thermogravimetric analysis. Furthermore, the dilute solution properties were investigated in chloroform, which is a common good solvent for both the PS and PI blocks but nonpolar, thus allowing the formation of hydrogen bonds.

  DOI：

  10.1021/ma061396n

文献信息

• A calix[4]pyrrole-based linear supramolecular polymer constructed by orthogonal self-assembly
  作者：Aysegul Budak、Abdullah Aydogan

  DOI：10.1039/d1cc01003d

  日期：——

  ureidopyrimidinone unit was successfully synthesized from its alcohol-functionalized congener and further used for the first time to obtain a thermo- and chemical-responsive linear supramolecular polymer via orthogonal self-assembly comprising a combination of quadruple hydrogen bonding and anion recognition.

  从其醇官能化的同类物成功合成了具有脲基嘧啶酮单元的杯[4]吡咯，并首次通过包含四个氢键结合的正交自组装，首次用于获得热响应和化学响应的线性超分子聚合物和阴离子识别。
• COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, KIT, AND COMPOUND
  申请人：Dublanchet Anne-Claude

  公开号：US20130017162A1

  公开（公告）日：2013-01-17

  The invention relates to a cosmetic composition, especially a hair composition, and to a method for the cosmetic treatment of keratin materials, especially of the hair, employing compounds of formula: in which Z represents (i) a hydrogen atom, (ii) a linear or branched C1 to C32 (saturated) alkyl radical; (iii) a linear or branched C2 to C32 (unsaturated) alkene radical, comprising one or two C═C double bonds; (iv) an aryl-substituted alkyl radical; said radicals being optionally substituted and/or interrupted.

  这项发明涉及一种化妆品组合物，特别是一种头发组合物，以及一种用于对角蛋白材料，特别是头发进行化妆处理的方法，采用以下式的化合物： 其中Z代表(i) 氢原子，(ii) 直链或支链的C1至C32（饱和）烷基基团；(iii) 直链或支链的C2至C32（不饱和）烯烃基团，包括一个或两个C═C双键；(iv) 芳基取代的烷基基团；所述基团可选择地被取代和/或中断。
• Towards Dynamic but Supertough Healable Polymers through Biomimetic Hierarchical Hydrogen‐Bonding Interactions
  作者：Yan Song、Yuan Liu、Tao Qi、Guo Liang Li

  DOI：10.1002/anie.201807622

  日期：2018.10.15

  also dynamic for rapid self‐healing. Healable polymers with hierarchical hydrogen‐bonding interactions show excellent recoverability and high energy dissipation owing to the durable interaction between polymer chains. This biomimetic strategy of using hierarchical hydrogen bonds as building blocks is an alternative approach for obtaining dynamic, strong, yet smart self‐healing polymers for heavy‐duty

  据报道，采用仿生（titin蛋白分子结构）策略来制备具有超韧性（345 MJ m -3）的透明且可修复的弹性体）和通过聚合物骨架中的分层（单，双和四重）氢键部分实现自我修复后的高抗拉强度（44 MPa）。包含由氨基甲酸酯，尿素和2-脲基-4 [1H]-嘧啶酮基团形成的分层H键的刚性结构域导致了耐用的网络结构，该结构具有增强的机械性能，并且对于快速自我修复也是动态的。由于聚合物链之间的持久相互作用，具有分层氢键相互作用的可修复聚合物显示出出色的可回收性和高能量耗散。这种使用分层氢键作为构建基块的仿生策略是为重型保护材料和可穿戴电子设备获得动态，坚固但智能的自修复聚合物的替代方法。
• COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS
  申请人：Chodorowski-Kimmes Sandrine

  公开号：US20100239509A1

  公开（公告）日：2010-09-23

  The present patent application relates to a cosmetic or dermatological composition comprising, in a cosmetically or dermatologically acceptable medium, a polymer comprising: (a) a polymer backbone that may be obtained by reaction: of a polyol comprising 3 to 6 hydroxyl groups; of a monocarboxylic acid containing 6 to 32 carbon atoms; of a polycarboxylic acid comprising at least two carboxylic groups COOH, and/or of a cyclic anhydride such as a polycarboxylic acid and/or of a lactone comprising at least one carboxylic group COOH; and (b) at least one junction group linked to the said polymer backbone and capable of establishing H bonds with one or more partner junction groups, each pairing of a junction group involving at least three H (hydrogen) bonds. The patent application also concerns a cosmetic treatment process using the said composition.

  本专利申请涉及一种化妆品或皮肤科学组合物，包括在化妆品或皮肤科学上可接受的介质中，包含以下聚合物的组合物：(a) 由以下反应得到的聚合物骨架：含有3至6个羟基的多元醇；含有6至32个碳原子的一元羧酸；至少含有两个羧基COOH的多元羧酸，和/或类似多元羧酸的环酐和/或至少含有一个羧基COOH的内酯；以及(b) 至少一个连接到所述聚合物骨架的连接基团，并能够与一个或多个配对连接基团建立H键，每个连接基团的配对涉及至少三个H（氢）键。该专利申请还涉及使用所述组合物的化妆品处理过程。
• Self-healing, highly elastic and amphiphilic silicone-based polyurethane for antifouling coatings
  作者：Xiaobin Lin、Qingyi Xie、Chunfeng Ma、Guangzhao Zhang

  DOI：10.1039/d0tb02465a

  日期：——

  elastic modulus (1.9 MPa), so it exhibits good fouling release performance. Besides, the amphiphilic side chains can effectively resist protein adsorption and adhesion of the marine bacteria Pseudomonas sp. and diatom Navicula incerta. The novel design can improve the resistance of silicone coating to biofouling and mechanical forces and is promising for high-performance antifouling coatings.

  有机硅弹性体涂料由于其环保性质，优异的结垢释放能力和减阻性能而受到越来越多的关注。但是，不良的机械性能和抗结垢性限制了它们的应用。在此，报道了具有2-脲基-4 [ 1H ]-嘧啶酮（UPy）和两亲侧链的硅氧烷基聚氨酯。UPy基团和氨基甲酸酯可与各种基材形成氢键，因此与PDMS弹性体（0.3-0.4 MPa）相比，该涂层具有显着改善的粘合强度（0.9-3.0 MPa）。此外，UPy部分之间的四重氢键结合使聚合物具有出色的自愈能力和高弹性。改性聚合物涂层的表面能低（24 mJ m -2）和低弹性模量（1.9 MPa），因此具有良好的结垢释放性能。另外，两亲性侧链可以有效抵抗海洋细菌假单胞菌（Pseudomonas sp。）的蛋白质吸附和粘附。和硅藻Navicula incerta。新颖的设计可以提高有机硅涂料对生物结垢和机械力的抵抗力，并有望用于高性能防污涂料。