| 198562-85-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 198562-85-5
• 化学式: C₃₆H₆₁NO₁₃Si
• 分子量: 743.965
• InChiKey: QKQLRBCJHXGJGT-GOHFESKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.06
• 重原子数：
  51.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  161.86
• 氢给体数：
  3.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 吡啶 、 咪唑 、 盐酸 、 potassium tert-butylate 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2R,3R,4R,5R,6R)-2-((2R,3R,4R,5R,6S)-3,5-Dihydroxy-2-hydroxymethyl-6-methoxy-tetrahydro-pyran-4-ylmethyl)-6-hydroxymethyl-piperidine-3,4,5-triol; hydrochloride
  参考文献：
  名称：

  Synthesis of Carbohydrate Mimics: α-1-C-Substituted-deoxymannojirimycins

  摘要：

  Methodology for the construction of diverse alpha-I-C-substituted-deoxymannojirimycin analogues is reported. The pseudoanomeric carbon-carbon bond was formed using a Suzuki cross-coupling between vinyl bromide 5, derived biocatalytically from bromobenzene, and an aryl, alkyl, or carbohydrate boron coupling partner. Ozonolysis and stereoselective reduction followed by an intramolecular nucleophilic ring closing served to form the polyhydroxylated piperidine ring. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10144-7
• 作为产物：
  描述：

  benzyl N-[(3aR,4R,5R,7aR)-7-[[(4aR,6S,7R,8R,8aR)-6-methoxy-7-(methoxymethoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]carbamate 在 sodium tetrahydroborate 、 臭氧 作用下， 生成
  参考文献：
  名称：

  Synthesis of Carbohydrate Mimics: α-1-C-Substituted-deoxymannojirimycins

  摘要：

  Methodology for the construction of diverse alpha-I-C-substituted-deoxymannojirimycin analogues is reported. The pseudoanomeric carbon-carbon bond was formed using a Suzuki cross-coupling between vinyl bromide 5, derived biocatalytically from bromobenzene, and an aryl, alkyl, or carbohydrate boron coupling partner. Ozonolysis and stereoselective reduction followed by an intramolecular nucleophilic ring closing served to form the polyhydroxylated piperidine ring. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10144-7