1-(2-氯乙基)-4-[(三苯基甲基)氨基]嘧啶-2-酮 | 138753-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 1-(2-氯乙基)-4-[(三苯基甲基)氨基]嘧啶-2-酮
• 英文名称: 1-(2-chloroethyl)-4-<(triphenylmethyl)amino>pyrimidin-2-one
• 英文别名: 1-(2-Chloroethyl)-4-(tritylamino)pyrimidin-2-one
• CAS: 138753-82-9
• 化学式: C₂₅H₂₂ClN₃O
• 分子量: 415.922
• InChiKey: LWYPPVWISBNKOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-氯乙基)-4-[(三苯基甲基)氨基]嘧啶-2-酮 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 36.0h， 生成 N-<2-<7-(2-benzamido-6-oxopurinyl)>ethyl>-N-<2-<2-oxo-1-<4-<(triphenylmethyl)amino>pyrimidinyl>>ethyl>amine
  参考文献：
  名称：

  Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives

  摘要：

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.

  DOI：

  10.1021/jo00029a008
• 作为产物：
  描述：

  4-amino-1-(2-hydroxyethyl)pyrimidin-2-one 在 吡啶 、 氯化亚砜 、 sodium methylate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 1-(2-氯乙基)-4-[(三苯基甲基)氨基]嘧啶-2-酮
  参考文献：
  名称：

  Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives

  摘要：

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.

  DOI：

  10.1021/jo00029a008

文献信息

• Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives
  作者：Jonathan L. Sessler、Darren Magda、Hiroyuki Furuta

  DOI：10.1021/jo00029a008

  日期：1992.1

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.