(1R,2R,4R,6R)-6-Benzyloxy-1-[(2R,4S,5R)-5-ethyl-2-(4-methoxy-phenyl)-4-methyl-[1,3]dioxolan-4-yl]-1-hydroxy-2,4-dimethyl-6-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-heptan-3-one | 133782-39-5

• 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: (1R,2R,4R,6R)-6-Benzyloxy-1-[(2R,4S,5R)-5-ethyl-2-(4-methoxy-phenyl)-4-methyl-[1,3]dioxolan-4-yl]-1-hydroxy-2,4-dimethyl-6-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-heptan-3-one
• 英文别名: (1R,2R,4R,6R)-6-[(4R,5S,6R)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(2R,4S,5R)-5-ethyl-2-(4-methoxyphenyl)-4-methyl-1,3-dioxolan-4-yl]-1-hydroxy-2,4-dimethyl-6-phenylmethoxyheptan-3-one
• CAS: 133782-39-5
• 化学式: C₄₀H₅₈O₈
• 分子量: 666.896
• InChiKey: FKMIFCCAWJAVIZ-YWGBRIFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.82
• 重原子数：
  48.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  92.68
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (1R,2R,4R,6R)-6-Benzyloxy-1-[(2R,4S,5R)-5-ethyl-2-(4-methoxy-phenyl)-4-methyl-[1,3]dioxolan-4-yl]-1-hydroxy-2,4-dimethyl-6-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-heptan-3-one 在 邻苯二甲酸二甲酯 、 (+/-)-10-chlorocamphoric acid 、 lithium tri-t-butoxyaluminum hydride 作用下， 以 乙醚 为溶剂， 反应 0.67h， 生成
  参考文献：
  名称：

  Stereocontrolled synthesis of erythronolides A and B in A (C5-C9) + (C3-C4) + (C1-C2) + (C11-C13) sequence from 1,6-anhydro-β-D-glucopyranose (levoglucosan). Part 2.

  摘要：

  Stereocontrolled synthesis of erythronolides A and B has been achieved.

  DOI：

  10.1016/s0040-4020(01)96140-x
• 作为产物：
  描述：

  (4R,6R)-6-Benzyloxy-4-methyl-6-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-heptan-3-one 、 (2R,3R)-2,3-<(R)-(4-methoxybenzylidene)dioxy>-2-methylpentanal 在 正丁基锂 、 六甲基二硅氮烷 作用下， 生成 (1R,2R,4R,6R)-6-Benzyloxy-1-[(2R,4S,5R)-5-ethyl-2-(4-methoxy-phenyl)-4-methyl-[1,3]dioxolan-4-yl]-1-hydroxy-2,4-dimethyl-6-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-heptan-3-one 、 (1S,2S,4R,6R)-6-Benzyloxy-1-[(2R,4S,5R)-5-ethyl-2-(4-methoxy-phenyl)-4-methyl-[1,3]dioxolan-4-yl]-1-hydroxy-2,4-dimethyl-6-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-heptan-3-one
  参考文献：
  名称：

  Stereocontrolled synthesis of erythronolides A and B in A (C5-C9) + (C3-C4) + (C1-C2) + (C11-C13) sequence from 1,6-anhydro-β-D-glucopyranose (levoglucosan). Part 2.

  摘要：

  Stereocontrolled synthesis of erythronolides A and B has been achieved.

  DOI：

  10.1016/s0040-4020(01)96140-x