Phosphoramidous acid, bis(1-methylethyl)-, 2-cyanoethyl (2R)-3-(octadecyloxy)-2-(phenylmethoxy)propyl ester | 475650-89-6

• 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: Phosphoramidous acid, bis(1-methylethyl)-, 2-cyanoethyl (2R)-3-(octadecyloxy)-2-(phenylmethoxy)propyl ester
• 英文别名: 3-[[di(propan-2-yl)amino]-[(2R)-3-octadecoxy-2-phenylmethoxypropoxy]phosphanyl]oxypropanenitrile
• CAS: 475650-89-6
• 化学式: C₃₇H₆₇N₂O₄P
• 分子量: 634.924
• InChiKey: TVNDIIZMMGXQIO-AWSVAJQLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  44
• 可旋转键数：
  31
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  64
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Phosphoramidous acid, bis(1-methylethyl)-, 2-cyanoethyl (2R)-3-(octadecyloxy)-2-(phenylmethoxy)propyl ester 、 6-O-[2-azido-3,6-di-O-benzyl-2-deoxy-4-O-(2-propenyl)-α-D-glucopyranosyl]-2-O-hexadecanoyl-3,4,5-tri-O-benzyl-myo-inositol 在 MS 3 Angstroem 、 氧气 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 6.0h， 以67%的产率得到Hexadecanoic acid (1R,2S,3R,4S,5S,6R)-3-((2R,3R,4R,5S,6R)-5-allyloxy-3-azido-4-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-4,5,6-tris-benzyloxy-2-[((R)-2-benzyloxy-3-octadecyloxy-propoxy)-(2-cyano-ethoxy)-phosphoryloxy]-cyclohexyl ester
  参考文献：
  名称：

  Convergent synthesis of an inner core GPI of sperm CD52

  摘要：

  An inner core of the GPI anchor of sperm CD52 antigens was synthesized by a highly convergent process using specially modified inositol, glucosamine and phospholipid as key building blocks. This paper also presents a new and efficient procedure to prepare 1,2,6-differentiated derivatives of inositol for GPI syntheses. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00301-3
• 作为产物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 2-O-Benzyl-3-O-octadecyl-sn-glycerin 在 二异丙基铵盐四氮唑 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 Phosphoramidous acid, bis(1-methylethyl)-, 2-cyanoethyl (2R)-3-(octadecyloxy)-2-(phenylmethoxy)propyl ester
  参考文献：
  名称：

  Convergent synthesis of an inner core GPI of sperm CD52

  摘要：

  An inner core of the GPI anchor of sperm CD52 antigens was synthesized by a highly convergent process using specially modified inositol, glucosamine and phospholipid as key building blocks. This paper also presents a new and efficient procedure to prepare 1,2,6-differentiated derivatives of inositol for GPI syntheses. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00301-3

文献信息

• Convergent synthesis of an inner core GPI of sperm CD52
  作者：Jie Xue、Zhongwu Guo

  DOI：10.1016/s0960-894x(02)00301-3

  日期：2002.8

  An inner core of the GPI anchor of sperm CD52 antigens was synthesized by a highly convergent process using specially modified inositol, glucosamine and phospholipid as key building blocks. This paper also presents a new and efficient procedure to prepare 1,2,6-differentiated derivatives of inositol for GPI syntheses. (C) 2002 Elsevier Science Ltd. All rights reserved.