(2R,4R,6S,7S,8S,9R)-2-Benzyloxy-8-benzyloxymethoxy-9-(tert-butyl-dimethyl-silanyloxy)-7-hydroxy-4,6,8-trimethyl-2-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-undecan-5-one | 133800-68-7

• 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: (2R,4R,6S,7S,8S,9R)-2-Benzyloxy-8-benzyloxymethoxy-9-(tert-butyl-dimethyl-silanyloxy)-7-hydroxy-4,6,8-trimethyl-2-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-undecan-5-one
• 英文别名: (2R,4R,6S,7S,8S,9R)-2-[(4R,5S,6R)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6,8-trimethyl-2-phenylmethoxy-8-(phenylmethoxymethoxy)undecan-5-one
• CAS: 133800-68-7
• 化学式: C₄₆H₇₄O₈Si
• 分子量: 783.174
• InChiKey: KTFFMXTWPJWQJH-NXNFKFTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.28
• 重原子数：
  55.0
• 可旋转键数：
  21.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  (2R,4R,6S,7S,8S,9R)-2-Benzyloxy-8-benzyloxymethoxy-9-(tert-butyl-dimethyl-silanyloxy)-7-hydroxy-4,6,8-trimethyl-2-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-undecan-5-one 在 lithium tri-t-butoxyaluminum hydride 作用下， 以 乙醚 为溶剂， 生成 (2R,4R,6R,7S,8S,9R)-2-Benzyloxy-8-benzyloxymethoxy-9-(tert-butyl-dimethyl-silanyloxy)-4,6,8-trimethyl-2-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-undecane-5,7-diol
  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 、 (2S,3R)-2-<(benzyloxy)methoxy>-3-<(tert-butyldimethylsilyl)oxy>-2-methylpentanal 在 正丁基锂 、 六甲基二硅氮烷 作用下， 生成 (2R,4R,6S,7S,8S,9R)-2-Benzyloxy-8-benzyloxymethoxy-9-(tert-butyl-dimethyl-silanyloxy)-7-hydroxy-4,6,8-trimethyl-2-[(4R,5S,6R)-2,2,5-trimethyl-6-((S)-1-methyl-allyl)-[1,3]dioxan-4-yl]-undecan-5-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