methyl (2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | 178666-15-4

• 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: methyl (2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 178666-15-4
• 化学式: C₁₅H₁₉I₂NO₅
• 分子量: 547.129
• InChiKey: LYSAEUWOAILRMR-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl (2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 在 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 methyl (2R)-2-amino-3-[4-[2-(4-hydroxyphenyl)ethoxy]-3,5-diiodophenyl]propanoate
  参考文献：
  名称：

  Synthesis and SAR of diiodotyrosine-derived glycine-site N-methyl-D-aspartate receptor ligands

  摘要：

  A series of analogues of the novel diiodotyrosine derived NMDA glycine-site ligand (R)-4 was prepared in which the aryl substitution, chain length and amino acid groups were varied. The key structural features for binding are the alpha-amino acid function, having the (R) absolute stereochemistry, the 3,5-diiodo substituted aromatic ring and a lipophilic group attached at the phenolic oxygen of the tyrosine moiety. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00187-4
• 作为产物：
  描述：

  甲醇 、 二碳酸二叔丁酯 、 D-3,5-二碘酪氨酸 在 氯化亚砜 、 三乙胺 作用下， 生成 methyl (2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  参考文献：
  名称：

  Synthesis and SAR of diiodotyrosine-derived glycine-site N-methyl-D-aspartate receptor ligands

  摘要：

  A series of analogues of the novel diiodotyrosine derived NMDA glycine-site ligand (R)-4 was prepared in which the aryl substitution, chain length and amino acid groups were varied. The key structural features for binding are the alpha-amino acid function, having the (R) absolute stereochemistry, the 3,5-diiodo substituted aromatic ring and a lipophilic group attached at the phenolic oxygen of the tyrosine moiety. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00187-4

文献信息

• Direct ¹⁸F-Fluorosulfurylation of Phenols and Amines Using an [¹⁸F]FSO₂⁺ Transfer Agent Generated <i>In Situ</i>
  作者：Min Pyeong Kim、Hojin Cho、Swatilekha Kayal、Min Ho Jeon、Jeong Kon Seo、Jeongmin Son、Jinsil Jeong、Sung You Hong、Joong-Hyun Chun

  DOI：10.1021/acs.joc.3c00512

  日期：2023.5.5