| 898826-11-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 898826-11-4
• 化学式: C₂₇H₄₄O₉S₅
• 分子量: 672.971
• InChiKey: HBRVWTUOCMWGLD-YKLLGITLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  41.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  83.07
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 反应 1.0h， 以94%的产率得到(3S,5R)-3-((S)-(methoxymethoxy)((R)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl)methyl)-5-((R)-(methoxymethoxy)((S)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl)methyl)tetrahydro-2H-thiopyran
  参考文献：
  名称：

  Asymmetric Synthesis of Hexapropionate Synthons by Sequential Enantiotopic Group Selective Enolization of Meso Diketones

  摘要：

  Meso 1,9-diketones (six to seven stereocenters) are readily obtained by stepwise or simultaneous two-directional aldol reactions of tetrahydro-4H-thiopyran-4-one with a thiopyran-derived aldehyde or dialdehyde. Enantioselective enolizations of these diketones with the lithium amide from (R, R)-bis(1-phenylethyl) amine occur with simultaneous kinetic resolution to give the mono-TMS enol ethers in > 90% yields (BORSM) and > 95% ee. The products are applicable to polypropionate synthesis.

  DOI：

  10.1021/ol060802k
• 作为产物：
  描述：

  (+/-)-(3S,5R)-3-[(R)-(6S)-1,4-dioxa-8-thiaspiro[4.5]dec-6-yl(hydroxy)methyl]-5-[(S)-(6R)-1,4-dioxa-8-thiaspiro[4.5]dec-6-yl(hydroxy)methyl]tetrahydro-4H-thiopyran-4-one 在 咪唑 、 sodium tetrahydroborate 、 四丁基碘化铵 、 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 37.25h， 生成
  参考文献：
  名称：

  Asymmetric Synthesis of Hexapropionate Synthons by Sequential Enantiotopic Group Selective Enolization of Meso Diketones

  摘要：

  Meso 1,9-diketones (six to seven stereocenters) are readily obtained by stepwise or simultaneous two-directional aldol reactions of tetrahydro-4H-thiopyran-4-one with a thiopyran-derived aldehyde or dialdehyde. Enantioselective enolizations of these diketones with the lithium amide from (R, R)-bis(1-phenylethyl) amine occur with simultaneous kinetic resolution to give the mono-TMS enol ethers in > 90% yields (BORSM) and > 95% ee. The products are applicable to polypropionate synthesis.

  DOI：

  10.1021/ol060802k