3-nitro-2-[3,4,5-tris(phenylmethoxy)phenyl]-2H-chromene | 943753-29-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3-nitro-2-[3,4,5-tris(phenylmethoxy)phenyl]-2H-chromene
• CAS: 943753-29-5
• 化学式: C₃₆H₂₉NO₆
• 分子量: 571.629
• InChiKey: ARDYFAJCSCOHIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  82.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-nitro-2-[3,4,5-tris(phenylmethoxy)phenyl]-2H-chromene 在 溶剂黄146 作用下， 生成
  参考文献：
  名称：

  Concise synthesis of dideoxy-epigallocatechin gallate (DO-EGCG) and evaluation of its anti-influenza virus activity

  摘要：

  Dideoxy-epigallocatechin gallate (DO-EGCG) (2), a simplified analog of naturally occurring EGCG (1), was efficiently prepared by directly introducing a ketone group at C3 and successive reduction to the sec-alcohol with 2,3-cis stereochemistry. Compound 2 showed potent anti-influenza virus activity, indicating that the hydroxyl substituents on the A-ring are not crucial for antiinfluenza virus activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.041
• 作为产物：
  描述：

  5-[(E)-2-nitroethenyl]-1,2,3-tris(phenylmethoxy)benzene 、 水杨醛 在 三乙烯二胺 作用下， 以 二氯甲烷 为溶剂， 以54%的产率得到3-nitro-2-[3,4,5-tris(phenylmethoxy)phenyl]-2H-chromene
  参考文献：
  名称：

  Concise synthesis of dideoxy-epigallocatechin gallate (DO-EGCG) and evaluation of its anti-influenza virus activity

  摘要：

  Dideoxy-epigallocatechin gallate (DO-EGCG) (2), a simplified analog of naturally occurring EGCG (1), was efficiently prepared by directly introducing a ketone group at C3 and successive reduction to the sec-alcohol with 2,3-cis stereochemistry. Compound 2 showed potent anti-influenza virus activity, indicating that the hydroxyl substituents on the A-ring are not crucial for antiinfluenza virus activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.041