(4S,5S)-4-[(1S)-1-methoxy-2-methyl-2-phenylmethoxypropyl]-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane | 459426-91-6

• 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: (4S,5S)-4-[(1S)-1-methoxy-2-methyl-2-phenylmethoxypropyl]-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
• CAS: 459426-91-6
• 化学式: C₂₅H₃₄O₅
• 分子量: 414.542
• InChiKey: XIXBBWJKYCPMFJ-VABKMULXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4S,5S)-4-[(1S)-1-methoxy-2-methyl-2-phenylmethoxypropyl]-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以99%的产率得到(1S)-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylpropan-2-ol
  参考文献：
  名称：

  A novel synthesis of noviose and its C-(4) epimer

  摘要：

  An efficient and stereoselective synthetic route has been developed to both noviose and its C-(4) epimer, thus providing a platform for the investigation of the structure activity relationships (SAR) involving the methoxy group of noviose. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00500-2
• 作为产物：
  描述：

  (4R,5R)-5-((S)-2-Benzyloxy-1-hydroxy-2-methyl-propyl)-2,2-dimethyl-[1,3]dioxolane-4-carbaldehyde 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (4S,5S)-4-[(1S)-1-methoxy-2-methyl-2-phenylmethoxypropyl]-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
  参考文献：
  名称：

  A novel synthesis of noviose and its C-(4) epimer

  摘要：

  An efficient and stereoselective synthetic route has been developed to both noviose and its C-(4) epimer, thus providing a platform for the investigation of the structure activity relationships (SAR) involving the methoxy group of noviose. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00500-2