1-((R)-1-{(1S,2S)-2-[(2S,5R,6S)-5-Benzyloxymethyl-6-(tert-butyl-diphenyl-silanyloxy)-1,4-dimethyl-3-oxo-[1,4]diazepan-2-yl]-2-hydroxy-1-hydroxymethyl-ethoxy}-2-hydroxy-ethyl)-3-(4-methoxy-benzyl)-1H-pyrimidine-2,4-dione | 219720-82-8

• 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-((R)-1-{(1S,2S)-2-[(2S,5R,6S)-5-Benzyloxymethyl-6-(tert-butyl-diphenyl-silanyloxy)-1,4-dimethyl-3-oxo-[1,4]diazepan-2-yl]-2-hydroxy-1-hydroxymethyl-ethoxy}-2-hydroxy-ethyl)-3-(4-methoxy-benzyl)-1H-pyrimidine-2,4-dione
• CAS: 219720-82-8
• 化学式: C₄₈H₆₀N₄O₁₀Si
• 分子量: 881.111
• InChiKey: NPGQZKIITJDDGA-KRPXIGDPSA-N

物化性质

• 沸点：
  923.545±75.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.296±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  63.0
• 可旋转键数：
  18.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  165.16
• 氢给体数：
  3.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 1-((R)-1-{(1S,2S)-2-[(2S,5R,6S)-5-Benzyloxymethyl-6-(tert-butyl-diphenyl-silanyloxy)-1,4-dimethyl-3-oxo-[1,4]diazepan-2-yl]-2-hydroxy-1-hydroxymethyl-ethoxy}-2-hydroxy-ethyl)-3-(4-methoxy-benzyl)-1H-pyrimidine-2,4-dione 在 copper(I) sulfate 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 以76%的产率得到1-[(1R)-1-[[(4S,5S)-4-[(2S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-3-oxo-5-(phenylmethoxymethyl)-1,4-diazepan-2-yl]-1,3-dioxan-5-yl]oxy]-2-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of the diazepanone-nucleoside portion of liposidomycins by aldol reaction of the enolate of diazepanone with a nucleoside 5′-aldehyde

  摘要：

  The diazepanone-nucleoside part of liposidomycins has been synthesized by the aldol reaction between the enolate of a stereochemically defined diazepanone and a uridine 5'-aldehyde. The configurations of two new stereocenters in the aldol product have been assigned on the basis of the H-1 NMR coupling constants and NOE of its derivative. (C) 1998 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0957-4166(98)00366-8
• 作为产物：
  描述：

  1-((2R,3R,4S,5R)-5-{(S)-[(2S,5R,6S)-5-Benzyloxymethyl-6-(tert-butyl-diphenyl-silanyloxy)-1,4-dimethyl-3-oxo-[1,4]diazepan-2-yl]-hydroxy-methyl}-3,4-dihydroxy-tetrahydro-furan-2-yl)-3-(4-methoxy-benzyl)-1H-pyrimidine-2,4-dione 在 甲醇 、 sodium tetrahydroborate 、 sodium periodate 作用下， 以 乙醇 为溶剂， 生成 1-((R)-1-{(1S,2S)-2-[(2S,5R,6S)-5-Benzyloxymethyl-6-(tert-butyl-diphenyl-silanyloxy)-1,4-dimethyl-3-oxo-[1,4]diazepan-2-yl]-2-hydroxy-1-hydroxymethyl-ethoxy}-2-hydroxy-ethyl)-3-(4-methoxy-benzyl)-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of the diazepanone-nucleoside portion of liposidomycins by aldol reaction of the enolate of diazepanone with a nucleoside 5′-aldehyde

  摘要：

  The diazepanone-nucleoside part of liposidomycins has been synthesized by the aldol reaction between the enolate of a stereochemically defined diazepanone and a uridine 5'-aldehyde. The configurations of two new stereocenters in the aldol product have been assigned on the basis of the H-1 NMR coupling constants and NOE of its derivative. (C) 1998 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0957-4166(98)00366-8