9-(4-vinylbenzyl)adenine | 464181-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-(4-vinylbenzyl)adenine
• 英文别名: 9H-Purin-6-amine, 9-[(4-ethenylphenyl)methyl]-；9-[(4-ethenylphenyl)methyl]purin-6-amine
• CAS: 464181-96-2
• 化学式: C₁₄H₁₃N₅
• 分子量: 251.291
• InChiKey: ZZIJKSUKZHKIRR-UHFFFAOYSA-N

物化性质

• 熔点：
  221-224 °C(Solv: methanol (67-56-1))
• 沸点：
  514.7±60.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯甲基苯乙烯 、 腺嘌呤 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 5.0h， 以71%的产率得到9-(4-vinylbenzyl)adenine
  参考文献：
  名称：

  用腺苷酸化的聚合物模板对益生元催化的建模：模板辅助磷酸酯水解的晶体结构研究和动力学表征。

  摘要：

  我们已经合成和表征包含腺嘌呤核碱基的新型铜金属化聚合物模板。这些以高效和催化的方式促进非天然和天然磷酸酯底物的水解。含铜的腺苷酸化单体的晶体结构通过与N1和N7原子的配位揭示了聚合物阵列的形成。还讨论了这些研究对涉及腺嘌呤和铜离子协同作用的益生元催化作用的可能含义。

  DOI：

  10.1002/1521-3765(20021115)8:22<5184::aid-chem5184>3.0.co;2-2

文献信息

• Synthesis and¹⁵N NMR characterization of 4-vinylbenzyl substituted bases of nucleic acids
  作者：Miloš Sedlák、Petr Šimůnek、Markus Antonietti

  DOI：10.1002/jhet.5570400418

  日期：2003.7

  new polymers: 1-(4-vinylbenzyl)uracil (1a), 1-(4-vinylbenzyl)thymine (1b), N-4-acetyl-1-(4-vinylbenzyl)cytosine (1c), 1-(4-vinylbenzyl)cytosine (1d), 9-(4-vinylbenzyl)adenine (2a), 2-amino-9-(4-vinylbenzyl)-6-chloro-9H-purine (2b), and 9-(4-vinylbenzyl)-guanine (2c). The alkylation reactions with 4-vinylbenzyl chloride were catalyzed with anhydrous sodium iodide. The substitution at position 9 in substances

  已经合成了以下物质，并作为合成新聚合物的单体或中间体进行了表征：1-（4-乙烯基苄基）尿嘧啶（1a），1-（4-乙烯基苄基）胸腺嘧啶（1b），N -4-乙酰基-1- （4-乙烯基苄基）胞嘧啶（1c），1-（4-乙烯基苄基）胞嘧啶（1d），9-（4-乙烯基苄基）腺嘌呤（2a），2-氨基-9-（4-乙烯基苄基）-6-氯- 9 H-嘌呤（2b）和9-（4-乙烯基苄基）-鸟嘌呤（2c）。用无水碘化钠催化与4-乙烯基苄基氯的烷基化反应。通过15 N NMR证实了物质2a-c中第9位的取代。
• Modeling of Prebiotic Catalysis with Adenylated Polymeric Templates: Crystal Structure Studies and Kinetic Characterization of Template-Assisted Phosphate Ester Hydrolysis
  作者：S. G. Srivatsan、Masood Parvez、Sandeep Verma

  DOI：10.1002/1521-3765(20021115)8:22<5184::aid-chem5184>3.0.co;2-2

  日期：2002.11.15

  that contain adenine nucleobases. These promote hydrolysis of non-natural and natural phosphate ester substrates in a highly efficient and catalytic fashion. The crystal structure of the cooper-containing adenylated monomer reveals the formation of a polymeric array, through coordination to both N1 and N7 atoms. Possible implications of these studies for prebiotic catalysis, involving synergism between

  我们已经合成和表征包含腺嘌呤核碱基的新型铜金属化聚合物模板。这些以高效和催化的方式促进非天然和天然磷酸酯底物的水解。含铜的腺苷酸化单体的晶体结构通过与N1和N7原子的配位揭示了聚合物阵列的形成。还讨论了这些研究对涉及腺嘌呤和铜离子协同作用的益生元催化作用的可能含义。
• Joined body joined by chemical bonding at material interface, and joining method for joined body
  申请人：Osaka University

  公开号：US10174172B2

  公开（公告）日：2019-01-08

  The present invention provides a joined body with no risk of detachment from the joining surface without using an adhesive, and a method for producing the joined body. The present invention also provides a reversible joined body that enables control of joining and dissociation, and a method for producing the reversible joined body. In the joined body, a chemical bond is formed between two or more same or different solid-state materials at their contact interfaces by a chemical reaction.

  本发明提供了一种在不使用粘合剂的情况下不会从接合面脱落的接合体，以及生产该接合体的方法。本发明还提供了一种可控制接合和解离的可逆接合体，以及一种生产可逆接合体的方法。在接合体中，两种或两种以上相同或不同的固态材料通过化学反应在其接触界面上形成化学键。
• Self-healing thermal interface materials
  申请人：International Business Machines Corporation

  公开号：US10377877B2

  公开（公告）日：2019-08-13

  A self-healing thermal interface material includes a reactive silicone-based material and a thermally conductive filler material. The reactive silicone-based material is modified to include one or more hydrogen bonding functional groups.

  一种自愈合热界面材料包括活性硅基材料和导热填充材料。活性硅基材料经过改性，包含一个或多个氢键官能团。
• 4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins
  作者：S. G. Srivatsan、Sandeep Verma、Masood Parvez

  DOI：10.1107/s0108270102007515

  日期：2002.7.15

  The crystal structures of 9-(4-vinylbenzyl)adenine, C14H13N5, and 1-(4-vinylbenzyl)uracil, C13H12N2O2, are composed of zigzag ribbon-like structures that are stabilized by conventional (N-H...N-type) hydrogen bonds for the former and conventional (N-H...-type) and non-conventional (C- H...O-type) hydrogen bonds for the latter; the hydrogen-onding patterns are represented by graph-sets R-2(2) (9) and R-2(2) (8), respectively. The adenine and uracil moieties in these alkylated derivatives are planar and are inclined at angles of 84.44 (4) and 79.07 (7)degrees, respectively, with respect to the phenyl rings.