2-Methyl-2-((2R,3R,4R,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-malonic acid | 207107-96-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-2-((2R,3R,4R,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-malonic acid
• CAS: 207107-96-8
• 化学式: C₃₈H₄₀O₉
• 分子量: 640.73
• InChiKey: SLULZBUCTKGIAS-VABIIVNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  47.0
• 可旋转键数：
  16.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  120.75
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-((2R,3R,4R,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-malonic acid 在 copper(I) oxide 碳酸氢铵 、 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 18.0h， 生成 2-((2R,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-propionamide
  参考文献：
  名称：

  Synthesis of benzylated (R)- and as conformationally restricted building blocks for the preparation of E- and P-selectin antagonists

  摘要：

  A straightforward synthesis for the aminoethyl-C-alpha-D-mannosides (R)-1 and (S)-1 has been developed. The conformationally restricted mannosides serve as building blocks for the synthesis of a new class of selectin antagonists of type A. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00342-6
• 作为产物：
  描述：

  2-Methyl-2-((2R,3R,4R,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-malonic acid diethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-Methyl-2-((2R,3R,4R,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-malonic acid
  参考文献：
  名称：

  Synthesis of benzylated (R)- and as conformationally restricted building blocks for the preparation of E- and P-selectin antagonists

  摘要：

  A straightforward synthesis for the aminoethyl-C-alpha-D-mannosides (R)-1 and (S)-1 has been developed. The conformationally restricted mannosides serve as building blocks for the synthesis of a new class of selectin antagonists of type A. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00342-6