N-hexyl-N-(1,4-dihydro-4-oxo-6-methylpyrimidin-2-yl)urea

• 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-hexyl-N-(1,4-dihydro-4-oxo-6-methylpyrimidin-2-yl)urea
• 英文别名: N-hexyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea；1-hexyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
• 化学式: C₁₂H₂₀N₄O₂
• 分子量: 252.316
• InChiKey: CDQUUSYJAPKGBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  82.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸己酯 、 2-氨基-4-羟基-6-甲基嘧啶 在 吡啶 作用下， 反应 16.0h， 以82%的产率得到N-hexyl-N-(1,4-dihydro-4-oxo-6-methylpyrimidin-2-yl)urea
  参考文献：
  名称：

  Ureidopyrimidinones在C-6处掺入可官能化的对氨基苯基电子给定基团

  摘要：

  已报道2-Ureido-4- [ 1H ]-嘧啶酮通过四氢键合系统在CDCl 3中的二聚化常数> 10 6 M - 1来二聚。二聚化常数K dim取决于溶剂以及所存在的环取代基，其中先前为烷基（例如R 1 = Me）和芳族部分（例如R 1 = p -NO 2 C 6 H 4， R 1 = C 6 H 2（OC 13 H 27）3）已并入C-6位置。为评估替代的，可官能化的，供电子基团对异构体的二聚体基序和互变异构体分布的影响，已实现了在C-6位具有氨基苯基官能团的化合物的合成。NMR光谱化学位移分析表明，化合物2（R 1 = p -NH 2 C 6 H 4，R 2 = C 6 H 13）在DMSO -d 6中以2-ureido-4-pyrimidinol二聚DADA阵列存在。二聚化常数为46 M - 1被确定。这是首次在高极性溶剂纯DMSO中观察到脲基嘧啶酮四氢键合DADA阵列。制备化合物2的偶氮衍生物5，其也采用在DMSO-

  DOI：

  10.1021/jo048223l

文献信息

• Ureidopyrimidinones Incorporating a Functionalizable <i>p</i>-Aminophenyl Electron-Donating Group at C-6
  作者：Valerie G. H. Lafitte、Abil E. Aliev、Helen C. Hailes、Kason Bala、Peter Golding

  DOI：10.1021/jo048223l

  日期：2005.4.1

  synthesis of compounds possessing aminophenyl functionality at the C-6 position has been achieved. NMR spectroscopy chemical shift analysis revealed that compound 2 (R1 = p-NH2C6H4, R2 = C6H13) existed as the 2-ureido-4-pyrimidinol dimeric DADA array in DMSO-d6, where a dimerization constant of 46 M-1 was determined. This is the first time that a ureidopyrimidinone quadruple hydrogen bonding DADA array

  已报道2-Ureido-4- [ 1H ]-嘧啶酮通过四氢键合系统在CDCl 3中的二聚化常数> 10 6 M - 1来二聚。二聚化常数K dim取决于溶剂以及所存在的环取代基，其中先前为烷基（例如R 1 = Me）和芳族部分（例如R 1 = p -NO 2 C 6 H 4， R 1 = C 6 H 2（OC 13 H 27）3）已并入C-6位置。为评估替代的，可官能化的，供电子基团对异构体的二聚体基序和互变异构体分布的影响，已实现了在C-6位具有氨基苯基官能团的化合物的合成。NMR光谱化学位移分析表明，化合物2（R 1 = p -NH 2 C 6 H 4，R 2 = C 6 H 13）在DMSO -d 6中以2-ureido-4-pyrimidinol二聚DADA阵列存在。二聚化常数为46 M - 1被确定。这是首次在高极性溶剂纯DMSO中观察到脲基嘧啶酮四氢键合DADA阵列。制备化合物2的偶氮衍生物5，其也采用在DMSO-
• ADDITIVE FOR RUBBER
  申请人：Bridgestone Corporation

  公开号：EP3473672A1

  公开（公告）日：2019-04-24

  An additive for a rubber contains a compound represented by the following general formula (I) wherein R1 is a divalent hydrocarbon group having 1 or more and 20 or less carbon atoms; R2 and R3 are each independently a hydrogen atom or a hydrocarbon group having 1 or more and 6 or less carbon atoms; X is a hydrogen atom or a group represented by R4-COO-, R4-CONH- or R4-O-; and R4 is a hydrocarbon group having 1 or more and 20 or less carbon atoms.

  一种橡胶添加剂含有由以下通式（I）代表的化合物 其中 R1 是具有 1 个或 1 个以上和 20 个或 20 个以下碳原子的二价烃基；R2 和 R3 各自独立地是氢原子或具有 1 个或 1 个以上和 6 个或 6 个以下碳原子的烃基；X 是氢原子或由 R4-COO-、R4-COH- 或 R4-O- 代表的基团；R4 是具有 1 个或 1 个以上和 20 个或 20 个以下碳原子的烃基。
• RUBBER COMPOSITION
  申请人：Bridgestone Corporation

  公开号：EP3730547A1

  公开（公告）日：2020-10-28

  An object of the present invention is to provide a rubber composition which, when used for tires, can improve on-ice performance of tires. The rubber composition of the invention contains a compound represented by the following formula (I), a dienic rubber and a liquid softener, wherein the mixing ratio (by mass) of the liquid softener to the compound represented by the formula (I) is 4.5/1 to 11/1. In the formula (I), R1 represents a divalent hydrocarbon group having 1 or more and 20 or less carbon atoms. R2 and R3 each independently represent a hydrogen atom or a hydrocarbon group having 1 or more and 6 or less carbon atoms. X represents a hydrogen atom, or a group represented by R4-COO-, R4-CONH- or R4-O-, and R4 represents a hydrocarbon group having 1 or more and 20 or less carbon atoms.

  本发明的目的是提供一种橡胶组合物，当其用于轮胎时，可改善轮胎的冰上性能。本发明的橡胶组合物含有下式（I）代表的化合物、二元橡胶和液体软化剂，其中液体软化剂与下式（I）代表的化合物的混合比例（按质量计）为 4.5/1 至 11/1。在式 (I) 中，R1 代表具有 1 个或 1 个以上和 20 个或 20 个以下碳原子的二价烃基。R2 和 R3 各自独立地代表氢原子或具有 1 个或 1 个以上和 6 个或 6 个以下碳原子的烃基。X 代表氢原子或由 R4-COO-、R4-COH- 或 R4-O- 代表的基团，R4 代表具有 1 个或 1 个以上和 20 个或 20 个以下碳原子的烃基。
• Cosmetic composition comprising a supramolecular compound capable of establishing hydrogen bonds, and two particular distinct silicone oils
  申请人：Geffroy Nathalie

  公开号：US10653600B2

  公开（公告）日：2020-05-19

  The present invention relates to a cosmetic composition comprising, in a cosmetically acceptable medium, at least: (a) 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 NH2, 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): (b) at least two distinct non-volatile silicone oils chosen from: i) phenyl silicone oils, in particular of formula (II) or (VII) below: ii) linear or cyclic polydimethylsiloxanes (PDMSs), iii) polydimethylsiloxanes comprising alkyl or alkoxy groups, which are pendent and/or at the end of the silicone chain, these groups each containing from 2 to 24 carbon atoms, and (d) at least one agent for structuring the liquid fatty phase.

  本发明涉及一种化妆品组合物，该组合物在化妆品可接受的介质中至少包括： (a) 一种超分子化合物，该化合物可通过以下反应获得-至少一种具有至少一种亲核反应官能（选自 OH 和 NH2）的油，和至少一种能与一个或多个伙伴接合基团建立氢键的接合基团，每对接合基团至少涉及三个氢键，所述接合基团具有至少一种能与油所具有的反应官能反应的异氰酸酯或咪唑反应官能，所述接合基团还包括至少一个式（I）或（II）的单元：(b) 至少两种不同的非挥发性硅油，选自：i) 苯基硅油，特别是以下式（II）或（VII）的硅油；ii) 线性或环状聚二甲基硅氧烷（PDMS）；iii) 含烷基或烷氧基的聚二甲基硅氧烷，这些烷基或烷氧基位于硅氧烷链的下垂部分和/或末端，每个基团含有 2 至 24 个碳原子；以及 (d) 至少一种用于构建液态脂肪相的添加剂。
• Composition comprising a water-insoluble solid organic UV-screening agent and a compound capable of establishing hydrogen bonds
  申请人：L'OREAL

  公开号：US11045409B2

  公开（公告）日：2021-06-29

  The present invention relates to a composition comprising, in a cosmetically acceptable medium, at least one water-insoluble solid organic UV-screening agent (A) at least one compound (B) 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, each junction group pairing involving at least 3 hydrogen bonds, the said junction group bearing at least one 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): in which: R1 and R3, which may be identical or different, represent a divalent carbon-based radical; R2 represents a hydrogen atom or a linear, branched or cyclic, saturated or unsaturated, optionally aromatic, C1-C32 carbon-based and especially hydrocarbon-based radical, which may comprise one or more heteroatoms chosen from O, N, S, F, Si and P.

  本发明涉及一种组合物，该组合物在化妆品可接受的介质中包含至少一种水不溶性固体有机紫外线屏蔽剂（A）和至少一种化合物（B），该化合物可通过以下反应获得：含有至少一种亲核和/或亲电反应官能团的油，以及能与一个或多个伙伴接合基团建立氢键的接合基团，每个接合基团配对涉及至少 3 个氢键，所述接合基团含有至少一种能与油所含反应官能团反应的反应官能团，所述接合基团还包括至少一个式（I）或（II）的单元： 其中：R1 和 R3（可以相同或不同）代表二价碳基；R2 代表氢原子或线性、支链或环状、饱和或不饱和、可选芳香、C1-C32 碳基，尤其是烃基，可包含一个或多个杂原子，杂原子选自 O、N、S、F、Si 和 P。