(1R,3S,4S,6S,7S,9R)-4-hydroxy-3-methoxy-6-nitromethyl-9-phenyl-2,5,8,10-tetra-oxabicyclo<5,4,0^1,7>undecane | 132697-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• 英文名称: (1R,3S,4S,6S,7S,9R)-4-hydroxy-3-methoxy-6-nitromethyl-9-phenyl-2,5,8,10-tetra-oxabicyclo<5,4,0^1,7>undecane
• 英文别名: (2R,4aR,6S,7S,9S,9aS)-6-methoxy-9-(nitromethyl)-2-phenyl-4,4a,6,7,9,9a-hexahydro-[1,3]dioxino[5,4-e][1,4]dioxepin-7-ol
• CAS: 132697-45-1
• 化学式: C₁₅H₁₉NO₈
• 分子量: 341.318
• InChiKey: VZRSPSRIPHADQT-HGPDSQILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  109.52
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (4aR)-7ξ-ethoxy-6c-methoxy-2c-phenyl-(4ar,9at)-hexahydro-[1,3]dioxino[5,4-e][1,4]dioxepin-9ξ-ol 、 硝基甲烷 生成 (1R,3S,4S,6S,7S,9R)-4-hydroxy-3-methoxy-6-nitromethyl-9-phenyl-2,5,8,10-tetra-oxabicyclo<5,4,0^1,7>undecane
  参考文献：
  名称：

  GONZALEZ, FRANCISCO SANTOYO;BERENGUEL, ANTONIO VARGAS;MOLINA, JOSE MOLINA, CARBOHYDR. RES., 209,(1991) C. 155-165

  摘要：

  DOI：

文献信息

• Synthesis of methyl 3-deoxy-3-nitroheptoseptanosides
  作者：Francisco Santoyo Gonzalez、Antonio Vargas Berenguel、Jose Molina Molina

  DOI：10.1016/0008-6215(91)80153-e

  日期：1991.1

  The reaction of the dioxepane 2, obtained by periodate oxidation of methyl 4,6-O-benzylidene-alpha-D-glucopyranoside, with nitromethane, using potassium fluoride as catalyst, gave methyl 5,7-O-benzylidene-3-deoxy-3-nitro-D-glycero-alpha-D-ido-heptoseptanoside (2) as the major product. The reaction of 4 with methyl nitroacetate followed by acetylation gave methyl 2,4-di-O-acetyl-5,7-O-benzylidene-3-deoxy-3-C-methoxycarbonyl-3-nitro-D-glycero-alpha-D-talo-(6) and -D-glycero-alpha-D-ido-heptoseptanoside (7).