4-methyl-N-(9H-purin-6-yl)benzamid | 51008-68-5

• 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: 4-methyl-N-(9H-purin-6-yl)benzamid
• 英文别名: 6-N-(4-methylbenzoyl)adenine；4-methyl-N-(7(9)H-purin-6-yl)-benzamide；N⁶-Toluyladenin；4-methyl-N-(7H-purin-6-yl)benzamide
• CAS: 51008-68-5
• 化学式: C₁₃H₁₁N₅O
• 分子量: 253.263
• InChiKey: ZBKDBSIXXDYWIX-UHFFFAOYSA-N

物化性质

• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methyl-N-(9H-purin-6-yl)benzamid 、 2-deoxy-D-ribose 在 三正丁胺 、 四磷十氧化物 、 水 作用下， 以 氯仿 为溶剂， 反应 168.0h， 生成 N-[9-((2R,4R,5S)-2,5-Dihydroxy-tetrahydro-pyran-4-yl)-9H-purin-6-yl]-4-methyl-benzamide 、 N-[9-((2S,4R,5S)-2,5-Dihydroxy-tetrahydro-pyran-4-yl)-9H-purin-6-yl]-4-methyl-benzamide
  参考文献：
  名称：

  Motawia, Mohammed S.; Andreassen, Erik S.; Pedersen, Erik B., Liebigs Annalen der Chemie, 1987, p. 787 - 791

  摘要：

  DOI：
• 作为产物：
  描述：

  2'-脱氧腺苷 在 吡啶 作用下， 以 甲醇 为溶剂， 反应 14.0h， 生成 4-methyl-N-(9H-purin-6-yl)benzamid
  参考文献：
  名称：

  Nucleic Acid Related Compounds. 127. Selective N-Deacylation of N,O-Peracylated Nucleosides in Superheated Methanol¹

  摘要：

  Solutions of peracylated adenosine, cytidine, and related nucleoside derivatives undergo selective N-deacylation upon heating at elevated temperatures (oil bath >= 105 degrees C) in methanol. An increase in the bulk of the N-acyl group has little effect on the rate of N-deacylation but increases the N/O selectivity ratio. Extended heating is required for N-deacylation with arylcarboxylic acid derivatives. Contamination with acidic or basic reagent residues is avoided.

  DOI：

  10.1021/jo051256w

文献信息

• Strukturaufklärung von<i>N</i>⁶-, 9- und 7-Acyladeninen durch¹H-und¹³C-NMR-Spektroskopie von Festkörpern und in Lösung
  作者：Walter Ried、Heinz Woithe、Arndt Müller

  DOI：10.1002/hlca.19890720720

  日期：1989.11.1

  Structure Determination of N6-, 9-and 7-Acyladenines by 1H- and 13C-NMR Spectroscopy of Solids and in Solution.

  固体和溶液中1 H-和13 C-NMR光谱法测定N 6-，9-和7-酰基腺嘌呤的结构。
• CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：NAGURA MASATO

  公开号：US20110076423A1

  公开（公告）日：2011-03-31

  A cellulose acylate film comprising a cellulose acylate resin satisfying the formulae (i)-(iii) and a compound capable of forming a hydrogen bond satisfying conditions (A)-(C): (A) the compound has both a hydrogen bond donor moiety and a hydrogen bond acceptor moiety in the molecule, (B) the value obtained by dividing the molecular weight of the compound by the total of the number of the hydrogen bond donor moiety and the number of the hydrogen bond acceptor moiety is from 30 to 65, (C) the number of aromatic ring structures is from 1 to 3, 0.5≦ A+B ≦2.7,  (i) 0.0≦A≦2.5, and  (ii) 0.1≦B≦2.0,  (iii) wherein A means the degree of substitution with an acetyl group, and B means a total of the degree of substitution with a propionyl group and the degree of substitution with a butyryl group.
• Optical performance humidity dependency improving agent for cellulose acylate film
  申请人：Nagura Masato

  公开号：US20110262661A1

  公开（公告）日：2011-10-27

  An optical performance humidity dependency improving agent for cellulose acylate film, which contains a compound having a nucleic acid base skeleton, is capable of preventing the fluctuation of Re and Rth of the film against the humidity change in usage environments.
• Optical film, retardation film, polarizing plate, and liquid crystal display device
  申请人：Sasada Yasuyuki

  公开号：US20120018685A1

  公开（公告）日：2012-01-26

  An optical film contains a cellulose ester and more than 30% by mass, relative to the cellulose ester, of a condensation product of at least one polyhydric alcohol having an average of 2.01 or more carbon atoms and at least one polybasic acid having an average of 4.10 or more carbon atoms, and at least one of the at least one polyhydric alcohol contains at least three carbon atoms bonded together without being interrupted by any other atom.
• Cellulose Acylate Film, Retardation Film, Polarizer and Liquid Crystal Display Device
  申请人：Nagura Masato

  公开号：US20120204757A1

  公开（公告）日：2012-08-16

  A cellulose acylate film comprising a cellulose acylate resin satisfying the formulae (i)-(iii) and a compound capable of forming a hydrogen bond satisfying conditions (A)-(C): (A) the compound has both a hydrogen bond donor moiety and a hydrogen bond acceptor moiety in the molecule, (B) the value obtained by dividing the molecular weight of the compound by the total of the number of the hydrogen bond donor moiety and the number of the hydrogen bond acceptor moiety is from 30 to 65, (C) the number of aromatic ring structures is from 1 to 3, 0.5≦ A+B ≦2.7,  (i) 0.0≦ A ≦2.5, and  (ii) 0.1≦ B ≦2.0,  (iii) wherein A means the degree of substitution with an acetyl group, and B means a total of the degree of substitution with a propionyl group and the degree of substitution with a butyryl group.