4-[[3-Methyl-4-[(3-nitro-4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]-3-nitrobenzaldehyde | 670274-90-5

• 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: 4-[[3-Methyl-4-[(3-nitro-4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]-3-nitrobenzaldehyde
• CAS: 670274-90-5
• 化学式: C₂₉H₂₄N₂O₈
• 分子量: 528.518
• InChiKey: KIBRZPGAQKHEQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  136
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[[3-Methyl-4-[(3-nitro-4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]-3-nitrobenzaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 [4-[[3-Methyl-4-[(3-nitro-4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]-3-nitrophenyl]methanol
  参考文献：
  名称：

  Synthesis of Ether Oligomers

  摘要：

  Hydroxyaromatic aldehydes and ketones were used as building blocks to prepare ether oligomers. An iterative two-step protocol involving Mitsunobu coupling and carbonyl reduction provided a protecting-group-free route with high yields. Activity screening of an 84-member library against proteases led to the discovery of micromolar inhibitors for trypsin, chymotrypsin, and subtilisin.

  DOI：

  10.1021/ol036300d
• 作为产物：
  描述：

  3-甲基-4-羟基苯甲醛 在 sodium tetrahydroborate 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-[[3-Methyl-4-[(3-nitro-4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]-3-nitrobenzaldehyde
  参考文献：
  名称：

  Synthesis of Ether Oligomers

  摘要：

  Hydroxyaromatic aldehydes and ketones were used as building blocks to prepare ether oligomers. An iterative two-step protocol involving Mitsunobu coupling and carbonyl reduction provided a protecting-group-free route with high yields. Activity screening of an 84-member library against proteases led to the discovery of micromolar inhibitors for trypsin, chymotrypsin, and subtilisin.

  DOI：

  10.1021/ol036300d

文献信息

• Synthesis of Ether Oligomers
  作者：Olivier Renaudet、Jean-Louis Reymond

  DOI：10.1021/ol036300d

  日期：2004.2.1

  Hydroxyaromatic aldehydes and ketones were used as building blocks to prepare ether oligomers. An iterative two-step protocol involving Mitsunobu coupling and carbonyl reduction provided a protecting-group-free route with high yields. Activity screening of an 84-member library against proteases led to the discovery of micromolar inhibitors for trypsin, chymotrypsin, and subtilisin.