2-amino-6-but-3-enyl-1H-pyrimidin-4-one | 133078-41-8

• 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: 2-amino-6-but-3-enyl-1H-pyrimidin-4-one
• 英文别名: 2-amino-6-(3-butenyl)-4-pyrimidone；2-Amino-6-(but-3-en-1-yl)pyrimidin-4(1H)-one；2-amino-4-but-3-enyl-1H-pyrimidin-6-one
• CAS: 133078-41-8
• 化学式: C₈H₁₁N₃O
• 分子量: 165.195
• InChiKey: KOMJJSHAGGNBCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-6-but-3-enyl-1H-pyrimidin-4-one 在 吡啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 1-烯丙基-3-[4-丁-3-烯基-6-(2-硝基苄氧基)嘧啶-2-基]脲
  参考文献：
  名称：

  Modular Domain Structure:  A Biomimetic Strategy for Advanced Polymeric Materials

  摘要：

  A long lasting challenge in polymer science is to design polymers that combine desired mechanical properties such as tensile strength, fracture toughness, and elasticity into one structure. A novel biomimetic modular polymer design is reported here to address this challenge. Following the molecular mechanism used in nature, modular polymers containing multiple loops were constructed by using precise and strong hydrogen bonding units. Single-molecule force-extension experiments revealed the sequential unfolding of loops as a chain is stretched. The excellent correlation between the single-molecule and the bulk properties successfully demonstrates our biomimetic concept of using modular domain structure to achieve advanced polymer properties.

  DOI：

  10.1021/ja039127p
• 作为产物：
  描述：

  碳酸胍 、 3-氧代-6-庚烯酸乙基 以 乙醇 为溶剂， 反应 14.0h， 生成 2-amino-6-but-3-enyl-1H-pyrimidin-4-one
  参考文献：
  名称：

  Modular Domain Structure:  A Biomimetic Strategy for Advanced Polymeric Materials

  摘要：

  A long lasting challenge in polymer science is to design polymers that combine desired mechanical properties such as tensile strength, fracture toughness, and elasticity into one structure. A novel biomimetic modular polymer design is reported here to address this challenge. Following the molecular mechanism used in nature, modular polymers containing multiple loops were constructed by using precise and strong hydrogen bonding units. Single-molecule force-extension experiments revealed the sequential unfolding of loops as a chain is stretched. The excellent correlation between the single-molecule and the bulk properties successfully demonstrates our biomimetic concept of using modular domain structure to achieve advanced polymer properties.

  DOI：

  10.1021/ja039127p

文献信息

• Cosmetic composition forming after application a supramolecular polymer
  申请人：——

  公开号：US20040161394A1

  公开（公告）日：2004-08-19

  The present invention relates to a care, and/or treatment, and/or make-up cosmetic composition for keratin materials, comprising, in a physiologically acceptable medium, an efficient amount of at least one linear, branched or cyclic polymer, or dendrimer, comprising: a —POL- polymeric backbone comprising at least two repeating patterns, and at least two binding groups (A), attached on the polymeric backbone and adapted to create H links with one ore more partner binding groups, of an identical or different chemical nature, each coupling of two binding groups involving at least three H links.

  本发明涉及一种针对角蛋白材料的护理、治疗和/或化妆品组合物，包括在生理可接受介质中，至少一种线性、支链或环状聚合物或树状聚合物，包括：具有至少两个重复模式的-POL-聚合物骨架以及至少两个结合基团（A），附着在聚合物骨架上并适用于与一个或多个相同或不同化学性质的配对结合基团形成H键，每个两个结合基团的耦合涉及至少三个H键。
• POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：YOSHIDA Hiroshi

  公开号：US20120208998A1

  公开（公告）日：2012-08-16

  A compound having an anti-viral activity, particularly a HIV integrase inhibitory activity, and a pharmaceutical composition, particularly an anti-HIV agent, of the formula: wherein R 1 , R 2 , R 3 , R 4 , B 1 and B 2 are defined in the specification.

  一种具有抗病毒活性，特别是HIV整合酶抑制活性的化合物，以及公式为：其中R1、R2、R3、R4、B1和B2在说明书中定义的制药组合物，特别是抗HIV制剂。
• Supramolecular polymer forming polymer
  申请人：HUNTSMAN INTERNATIONAL LLC

  公开号：EP1213309A1

  公开（公告）日：2002-06-12

  The invention provides a polymer having the following general formula :    where PU is a polymer chain comprising at least one polyurethane chain; and n ranges from 0 to 8; X, Y and Z, identical or different are H-bonding sites. The invention also provides a supramolecular polymer comprising units that form H-bonds with one another, wherein at least one of these units is a polymer according to the invention. The supramolecular polymer is useful as an hot melt adhesive, in rotational or slush molding, in injection molding and in the manufacture of TPU foams. The invention also provides a process for the preparation of the polymer.

  本发明提供了一种具有以下通式的聚合物： 式中 PU 是由至少一条聚氨酯链组成的聚合物链；以及 n 为 0 至 8； 相同或不同的 X、Y 和 Z 为 H 键位点。 本发明还提供了一种超分子聚合物，该聚合物由彼此形成 H 键的单元组成，其中至少一个单元是根据本发明制成的聚合物。 这种超分子聚合物可用作热熔粘合剂，用于旋转成型或泥浆成型、注塑成型和制造热塑性聚氨酯泡沫。 本发明还提供了制备该聚合物的工艺。
• POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE
  申请人：Shionogi Co., Ltd.

  公开号：EP1950212A1

  公开（公告）日：2008-07-30

  Is to provide a novel compound having an anti-viral activity, particularly a HIV integrase inhibitory activity, and a pharmaceutical composition, particularly an anti-HIV agent. (wherein R1 is hydrogen or lower alkyl; X is lower alkylene etc.; R2 is optionally substituted aryl; R3 is hydrogen, halogen, hydroxy, optionally substituted lower alkyl etc.; R4 is hydrogen, optionally substituted lower alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkyl lower alkyl, optionally substituted aryl, optionally substituted aryl lower alkyl, optionally substituted heterocyclic group, optionally substituted heterocyclic lower alkyl etc.; A broken line indicates the presence or absence of a bond; B1 and B2 are such that any one of them is CR20R21, and the other is NR22 and, in this case, there is no broken line. When B2 is NR22, R4 and R22 may be connected together to form an optionally substituted heterocycle; When B2 is CHR21, R4 and R21 may be connected together to form an optionally substituted heterocycle. Alternatively, B1 and B2 are independently C, CR23 or N and, in this case, B1 and B2 may be taken together to form a heterocycle. R20, R21, R22 and R23 are independently hydrogen, optionally substituted lower alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkyl lower alkyl etc.)

  目的是提供一种具有抗病毒活性，特别是艾滋病毒整合酶抑制活性的新型化合物，以及一种药物组合物，特别是一种抗艾滋病毒制剂。 其中 R1 是氢或低级烷基 X 是低级亚烷基等 R2 是任选取代的芳基； R3 是氢、卤素、羟基、任选取代的低级烷基等； R4 是氢、任选取代的低级烷基、任选取代的环烷基、任选取代的环烷基低级烷基、任选取代的芳基、任选取代的芳基低级烷基、任选取代的杂环基团、任选取代的杂环低级烷基等； 断线表示存在或不存在键； B1 和 B2 中的任意一个是 CR20R21，另一个是 NR22，在这种情况下，没有折线。 当 B2 为 NR22 时，R4 和 R22 可以连接在一起，形成一个任选取代的杂环； 当 B2 为 CHR21 时，R4 和 R21 可连接在一起，形成一个任选取代的杂环。 或者，B1 和 B2 独立地为 C、CR23 或 N，在这种情况下，B1 和 B2 可连接在一起形成杂环。 R20、R21、R22 和 R23 独立地是氢、任选取代的低级烷基、任选取代的环烷基、任选取代的环烷基低级烷基等）。
• Foamed supramolecular polymers
  申请人：Dejolier Bruno

  公开号：US20050151291A1

  公开（公告）日：2005-07-14

  Process for the preparation of foamed supramolecular polymers characterized in that the foaming of the supramolecular polymer is carried out in the presence of blowing agents.

  发泡超分子聚合物的制备工艺，其特征在于超分子聚合物的发泡是在发泡剂的存在下进行的。