N-formyl-N-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)-(R)-4-chlorophenylglycine N'-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]amide | 1008498-18-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-formyl-N-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)-(R)-4-chlorophenylglycine N'-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]amide
• CAS: 1008498-18-7
• 化学式: C₄₇H₆₃ClN₂O₁₃
• 分子量: 899.476
• InChiKey: QRCWKOGIPPYOJU-VCCRCFTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  63.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  182.3
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  N-formyl-N-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)-(R)-4-chlorophenylglycine N'-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]amide 在 盐酸 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 22.0h， 以81%的产率得到
  参考文献：
  名称：

  Multicomponent reactions in fungicide research: The discovery of mandipropamid

  摘要：

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.019
• 作为产物：
  描述：

  甲酸 、 4-氯苯甲醛 、 2,3,4,6-四-O-叔戊酰基-beta-D-吡喃半乳糖胺 、 4-(2-isocyanoethyl)-2-methoxy-1-(prop-2-ynyloxy)benzene 在 zinc chloride diethyl ether 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.0h， 以56%的产率得到N-formyl-N-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)-(R)-4-chlorophenylglycine N'-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]amide
  参考文献：
  名称：

  Multicomponent reactions in fungicide research: The discovery of mandipropamid

  摘要：

  Isocyanide-based multicomponent reactions of the Ugi- and Passerini-type have been valuable tools for the rapid exploration of the novel fungicidal compound classes of phenylglycinamides and mandelamides. Mandipropamid (6), which was discovered during this derivatisation, displays excellent activity against the economically important phytopathogens Phytophthora infestans (potato and tomato late blight) and Plasmopara viticola (grape downy mildew). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.019