N-[(R)-1-((2R,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-ethyl]-isophthalamic acid methyl ester | 207107-99-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[(R)-1-((2R,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-ethyl]-isophthalamic acid methyl ester
• CAS: 207107-99-1
• 化学式: C₄₅H₄₇NO₈
• 分子量: 729.87
• InChiKey: NVCYJDOQOZHNPG-KHGKZLSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.33
• 重原子数：
  54.0
• 可旋转键数：
  17.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  101.55
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-[(R)-1-((2R,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-ethyl]-isophthalamic acid methyl ester 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 120.0h， 生成
  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：

  [(R)-1-((2R,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-ethyl]-carbamic acid tert-butyl ester 在 盐酸 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 氯仿 、 乙酸乙酯 为溶剂， 反应 12.5h， 生成 N-[(R)-1-((2R,3R,4R,5R,6R)-3,4,5-Tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-ethyl]-isophthalamic acid methyl ester
  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