(6S,7R)-6-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-7-(phenylmethoxymethyl)-1,4-diazepan-2-one | 170936-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (6S,7R)-6-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-7-(phenylmethoxymethyl)-1,4-diazepan-2-one
• CAS: 170936-40-0
• 化学式: C₃₁H₄₀N₂O₃Si
• 分子量: 516.756
• InChiKey: BOZIPFBUJVGPRR-WDYNHAJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (6S,7R)-6-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-7-(phenylmethoxymethyl)-1,4-diazepan-2-one 在 盐酸 、 甲醇 、 sodium tetrahydroborate 、 sodium periodate 、 正丁基锂 作用下， 以 乙醇 为溶剂， 反应 2.0h， 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
• 作为产物：
  描述：

  [((2S,3R)-3-Azido-4-benzyloxy-2-hydroxy-butyl)-methyl-amino]-acetic acid 在 palladium on activated charcoal 咪唑 、 氢气 、 sodium hydride 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 (6S,7R)-6-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-7-(phenylmethoxymethyl)-1,4-diazepan-2-one
  参考文献：
  名称：

  Kim, Kwan Soo; Cho, In Haeng; Ahn, Yeong Hee, Journal of the Chemical Society. Perkin transactions I, 1995, # 14, p. 1783 - 1786

  摘要：

  DOI：

文献信息

• Synthesis of the diazepanone-nucleoside portion of liposidomycins by aldol reaction of the enolate of diazepanone with a nucleoside 5′-aldehyde
  作者：Kwan Soo Kim、Yeong Hee Ahn

  DOI：10.1016/s0957-4166(98)00366-8

  日期：1998.10

  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.
• Kim, Kwan Soo; Cho, In Haeng; Ahn, Yeong Hee, Journal of the Chemical Society. Perkin transactions I, 1995, # 14, p. 1783 - 1786
  作者：Kim, Kwan Soo、Cho, In Haeng、Ahn, Yeong Hee、Park, Jong Ii

  DOI：——

  日期：——