N-(6-isocyanatohextyl)-N'-(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea | 1029024-85-8

• 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: N-(6-isocyanatohextyl)-N'-(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
• 英文别名: N-(6-isocyanatohexyl)-N'-(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea；1-(6-isocyanatohexyl)-3-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)urea
• CAS: 1029024-85-8
• 化学式: C₁₅H₂₃N₅O₃
• 分子量: 321.379
• InChiKey: MIGJGOQVSLVLHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  N-(6-isocyanatohextyl)-N'-(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea 、 分散红 1 在 dibutyltin(II) dilaurate 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到2-[N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]anilino]ethyl N-[6-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate
  参考文献：
  名称：

  COSMETIC TREATMENT PROCESSES AND KIT

  摘要：

  本发明涉及一种用于处理角蛋白材料的化妆品工艺，可以在长期和可逆的情况下赋予它们有趣的化妆品特性；该工艺包括向所述材料施加以下组成部分的应用：第一阶段，包括至少一种可接枝的物种的化妆品组合物，其中包括至少一个式(Ia)的单元；第二阶段，包括至少一种具有至少一个式(Ia)的化妆品活性剂的化妆品组合物：本发明还涉及包括所述组合物的套件。

  公开号：

  US20140155352A1
• 作为产物：
  描述：

  2-amino-6-isopropylpyrimidin-4-ol 、 1,6-己二异氰酸酯 反应 2.0h， 以63%的产率得到N-(6-isocyanatohextyl)-N'-(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
  参考文献：
  名称：

  Variable Microwave Effects in the Synthesis of Ureidopyrimidinones: the Role of Heterogeneity

  摘要：

  Microwave-irradiated and conventionally heated nucleophilic additions of various C-6 substituted isocytosines (methyl, ethyl, isopropyl, and phenyl) to (di)isocyanates have been compared. As compared to conventional heating, the heterogeneous reaction mixtures showed higher reaction rates on using microwave heating. Variation of C-6 substituent, temperature, and amount of cosolvent influenced significantly the magnitude of these microwave effects. The magnitude of the microwave effect was governed by the solubility and the intrinsic reactivity of the variation in C-6 substitution on isocytosine. Presumably, the liquid layer near the solid surface is the area where selective heating by microwaves is occurring. As a consequence of locally higher temperatures, the solubility of the reactant as well as the rate coefficient of the reaction increase. Thus, higher reaction rates are observed than those corresponding with the measured bulk temperature. The observed microwave effects have a thermal rationale based on direct, fast, and selective heating, and the local heating effect is not found during conventional heating. This finding is crucial for a justified process scale-up scenario.

  DOI：

  10.1021/op100202j

文献信息

• 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。
• COMPOSITION CONTAINING A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND COSMETIC TREATMENT PROCESS
  申请人：CHODOROWSKI-KIMMES Sandrine

  公开号：US20100028277A1

  公开（公告）日：2010-02-04

  Composition containing, in a cosmetically or dermatologically acceptable medium, a compound that may be obtained by reaction between: an oil bearing at least one nucleophilic and/or electrophilic reactive function, and a junction group capable of establishing hydrogen bonds with one or more partner junction groups, the junction group bearing at least one reactive function capable of reacting with the reactive function borne by the oil, and also comprising at least one unit of formula (I) or (II):

  含有一种化合物的成分，可以通过以下反应获得：一个至少带有一个亲核和/或亲电反应功能的油，以及一个能够与一个或多个配对连接基建立氢键的连接基，该连接基至少带有一个能够与油所带反应功能发生反应的反应功能，并且还包括至少一个符合式(I)或(II)的单元的化妆品或皮肤学上可接受的介质。
• SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS
  申请人：Hoorne-Van Gemert Gaby Maria Leonarda

  公开号：US20100076147A1

  公开（公告）日：2010-03-25

  PCT The present invention relates to a supramolecular polymer comprising 1-50 4H-units, said supramolecular polymer being obtainable by reacting at least one monomeric building block with a prepolymer. The present invention further relates to articles or compositions comprising the supramolecular polymer, in particular articles or compositions selected from the group consisting of decorative, thermo-reversible, or self-healing coatings, adhesive compositions, sealing compositions, thickeners, gelators and binders.

  本发明涉及一种超分子聚合物，包含1-50个4H单元，所述超分子聚合物可通过将至少一种单体构建块与预聚物反应获得。本发明还涉及包含该超分子聚合物的物品或组合物，特别是选自装饰性、热可逆性或自修复涂层、粘合剂组合物、密封剂组合物、增稠剂、凝胶剂和粘合剂的物品或组合物。
• COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR OIL
  申请人：Barba Claudia

  公开号：US20130022561A1

  公开（公告）日：2013-01-24

  The present invention relates to a cosmetic composition comprising, in a cosmetically acceptable medium, (i) a supramolecular compound that may be obtained by reaction between: at least one oil bearing at least one nucleophilic reactive function chosen from OH and NH 2 , and at least one junction group capable of establishing hydrogen bonds with one or more partner junction groups, each pairing of a junction group involving at least three hydrogen bonds, the said junction group bearing at least one isocyanate or imidazole reactive function capable of reacting with the reactive function borne by the oil, the said junction group also comprising at least one unit of formula (I) or (II): (I) (II) (ii) at least one oil, chosen from apolar hydrocarbon-based oils and silicone oils, (iii) at least one dyestuff. The invention also relates to a cosmetic treatment process comprising the application of the said composition.

  本发明涉及一种化妆品组合物，包括在一种化妆品可接受的介质中，(i) 一种超分子化合物，可以通过以下反应获得：至少含有一种带有至少一个亲核反应基团的油，所述亲核反应基团选择自OH和NH2，以及至少含有一个结合基团，能够与一个或多个配对结合基团建立氢键，每个结合基团的配对涉及至少三个氢键，所述结合基团带有至少一个异氰酸酯或咪唑反应基团，能够与油所带的反应基团反应，所述结合基团还包括至少一个式(I)或(II)的单元：(I) (II) (ii) 至少一种油，选择自非极性碳氢化合物基油和硅油，(iii) 至少一种染料。本发明还涉及一种化妆品处理过程，包括应用所述组合物。
• COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT
  申请人：Barba Claudia

  公开号：US20130004438A1

  公开（公告）日：2013-01-03

  The present invention relates to a cosmetic composition comprising, in a cosmetically acceptable medium, (i) a supramolecular compound that may be obtained by reaction between: —at least one oil bearing at least one nucleophilic reactive function chosen from OH and NH 2 , and —at least one junction group capable of establishing hydrogen bonds with one or more partner junction groups, each pairing of a junction group involving at least three hydrogen bonds, the said junction group bearing at least one isocyanate or imidazole reactive function capable of reacting with the reactive function borne by the oil, the said junction group also comprising at least one unit of formula (I) or (II): (ii) and at least one additional ingredient preferably chosen from: —silicone elastomers, —polyesters that may be obtained by reacting: a tetraol containing from 4 to 10 carbon atoms; a saturated, linear or branched monocarboxylic acid containing from 9 to 23 carbon atoms; a cyclic dicarboxylic acid containing from 6 to 12 carbon atoms; and an aromatic monocarboxylic acid containing from 7 to 11 carbon atoms, —film-forming agents chosen from silicone resins and film-forming polymers, preferably chosen from the group comprising: a film-forming block ethylenic copolymer, a vinyl polymer comprising at least one carbosiloxane dendrimer-based unit, a dispersion of acrylic or vinyl radical homopolymer or copolymer particles dispersed in the said liquid fatty phase, —structuring agents chosen from semicrystalline polymers and thickeners comprising at least one group and preferably at least two groups capable of establishing hydrogen interactions, chosen from: polymeric thickeners, and organogelling agents. The invention also relates to a cosmetic treatment process comprising the application of the said composition.

  本发明涉及一种化妆品组合物，包括以下成分，均可用于化妆品中：（i）可通过以下反应得到的超分子化合物：至少含有一种带有OH或NH2的亲核反应功能的油，和至少含有一种能够与一种或多种配对结构单元建立氢键的连接基团，每个连接基团的配对都涉及至少三个氢键，所述连接基团带有至少一种异氰酸酯或咪唑反应功能，可与油中的反应功能发生反应，所述连接基团还包括至少一个式（I）或（II）的单元；（ii）至少一种其他成分，优选为以下成分之一：硅弹性体、聚酯物，可通过以下反应得到：含有4至10个碳原子的四元醇，含有9至23个碳原子的饱和线性或支链一元羧酸，含有6至12个碳原子的环状二元羧酸和含有7至11个碳原子的芳香族一元羧酸；膜形成剂，选择自硅树脂和膜形成聚合物，优选自以下组中选择：膜形成块乙烯共聚物、含有至少一个基于碳硅氧烷树枝状分子的乙烯基聚合物、丙烯酸或乙烯基自由基均聚物或共聚物粒子的分散液分散在所述液态脂肪相中；结构调节剂，选择自半晶态聚合物和增稠剂，包括至少一个羟基或酰胺基团，优选包括至少两个能够建立氢键相互作用的羟基或酰胺基团，选择自聚合增稠剂和有机凝胶剂。本发明还涉及一种化妆品处理过程，包括应用所述组合物。