1-(4-vinylbenzyl)uracil

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-vinylbenzyl)uracil
• 英文别名: 1-[(4-ethenylphenyl)methyl]pyrimidine-2,4-dione
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: GXATVPRMVVXEKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯甲基苯乙烯 、 尿嘧啶 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 1-(4-vinylbenzyl)uracil
  参考文献：
  名称：

  4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins

  摘要：

  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.

  DOI：

  10.1107/s0108270102007515

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。
• Polymer and dispersion liquid
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20180179413A1

  公开（公告）日：2018-06-28

  A polymer is provided, which has blocks of A-B, wherein the block A has a structure of and the block B has a structure of Each of R 1 is independently H or methyl group, R 2 is Each of R 3 is independently —C(O)OH, —C(O)NHR 6 NR 7 R 8 , —C(O)OR 6 NR 7 R 8 , or —C(O)OR 9 , wherein R 6 is C 1-5 alkylene group, R 7 and R 8 are independently H, C 1-9 alkyl group, C 6-9 aryl group, or C 7-9 alkylaryl group. R 9 is C 1-10 alkyl group, C 1-20 hydroxyalkyl group or alkyl ester group. R 4 is C 1-12 alkylene group, C 6-12 arylene group, or C 7-12 alkylarylene group. R 5 is H or C 1-4 alkyl group. Ar is wherein X is H, halogen, alkyl group, or aryl group.
• 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.