4-[[(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]sulfanyl]butanoic acid | 220281-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[[(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]sulfanyl]butanoic acid
• CAS: 220281-11-8
• 化学式: C₂₉H₄₀O₇SSi
• 分子量: 560.784
• InChiKey: JMHSJIBDHRDXES-INFWBLCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-[[(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]sulfanyl]butanoic acid 、 alkaline earth salt of/the/ methylsulfuric acid 以35%的产率得到(3aS,4R,7R,7aS)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-6-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
  参考文献：
  名称：

  Combinatorial solid-phase synthesis using D-galactose as a chiral five-dimension-deversity scaffold

  摘要：

  All five hydroxy groups of galactose as the scaffold are used for selective coupling of side chains in a combinatorial methodology by application of a set of orthogonally stable protecting groups in combination with a thioglycoside anchor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01690-1
• 作为产物：
  描述：

  methyl 4-S-(2',3',4',6'-tetra-O'-acetyl-beta-D-galactopyranosyl)mercaptobutyrate 在 咪唑 、 lithium hydroxide 、 sodium methylate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[[(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]sulfanyl]butanoic acid
  参考文献：
  名称：

  Combinatorial solid-phase synthesis using D-galactose as a chiral five-dimension-deversity scaffold

  摘要：

  All five hydroxy groups of galactose as the scaffold are used for selective coupling of side chains in a combinatorial methodology by application of a set of orthogonally stable protecting groups in combination with a thioglycoside anchor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01690-1

文献信息

• Combinatorial solid-phase synthesis using D-galactose as a chiral five-dimension-deversity scaffold
  作者：Christopher Kallus、Till Opatz、Tobias Wunberg、Wolfgang Schmidt、Stefan Henke、Horst Kunz

  DOI：10.1016/s0040-4039(99)01690-1

  日期：1999.10

  All five hydroxy groups of galactose as the scaffold are used for selective coupling of side chains in a combinatorial methodology by application of a set of orthogonally stable protecting groups in combination with a thioglycoside anchor. (C) 1999 Elsevier Science Ltd. All rights reserved.