Benzoic acid (2R,3R,4S,5S,6S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-methoxy-3,5-bis-methoxymethoxy-tetrahydro-pyran-4-yl ester | 178885-11-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzoic acid (2R,3R,4S,5S,6S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-methoxy-3,5-bis-methoxymethoxy-tetrahydro-pyran-4-yl ester
• CAS: 178885-11-5
• 化学式: C₃₄H₄₄O₉Si
• 分子量: 624.803
• InChiKey: ZRQUZXHXNSEJCY-MATKXCEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  44.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  90.91
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  Benzoic acid (2R,3R,4S,5S,6S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-methoxy-3,5-bis-methoxymethoxy-tetrahydro-pyran-4-yl ester 在 氢氟酸 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成 Benzoic acid (2R,3R,4S,5S,6S)-2-hydroxymethyl-6-methoxy-3,5-bis-methoxymethoxy-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Synthesis of L-chiro-inositol-1,2,3-trisphosphate and -1,2,3,5-tetrakisphosphate by ferrier reaction of methyl α-D-mannopyranoside

  摘要：

  The Ferrier rearrangement of a methyl alpha-D-mannopyranoside derivative (8a), followed by a stereoselective reduction gave a L-chiro-inositol derivative (2), which was converted to L-chiro-inositol 1,2,3-trisphosphate (3) and L-chiro-inositol 1,2,3,5-tetrakisphosphate (4). Compounds 3 and 4 may be considered to be the C3-position stereoisomers of D-myo-inositol 1,2,6-trisphosphate (alpha-trinositol) and D-myo-inositol 1,3,4,5-tetrakisphosphate, respectively, and should be useful for the binding studies with their macromolecular counterparts. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00252-1
• 作为产物：
  描述：

  叔丁基二苯基氯硅烷 在 phosphorus pentoxide 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 生成 Benzoic acid (2R,3R,4S,5S,6S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-methoxy-3,5-bis-methoxymethoxy-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Synthesis of L-chiro-inositol-1,2,3-trisphosphate and -1,2,3,5-tetrakisphosphate by ferrier reaction of methyl α-D-mannopyranoside

  摘要：

  The Ferrier rearrangement of a methyl alpha-D-mannopyranoside derivative (8a), followed by a stereoselective reduction gave a L-chiro-inositol derivative (2), which was converted to L-chiro-inositol 1,2,3-trisphosphate (3) and L-chiro-inositol 1,2,3,5-tetrakisphosphate (4). Compounds 3 and 4 may be considered to be the C3-position stereoisomers of D-myo-inositol 1,2,6-trisphosphate (alpha-trinositol) and D-myo-inositol 1,3,4,5-tetrakisphosphate, respectively, and should be useful for the binding studies with their macromolecular counterparts. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00252-1