2-Cyclohexyloxy-5-nitrobenzaldehyd | 34595-19-2

• 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: 2-Cyclohexyloxy-5-nitrobenzaldehyd
• 英文别名: 2-(Cyclohexyloxy)-5-nitrobenzaldehyde；2-cyclohexyloxy-5-nitrobenzaldehyde
• CAS: 34595-19-2
• 化学式: C₁₃H₁₅NO₄
• 分子量: 249.266
• InChiKey: JBGJQZVUWNJKLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Cyclohexyloxy-5-nitrobenzaldehyd 、 苯胺 在 三(三甲代甲硅烷基)亚磷酸盐 作用下， 生成 [(2-Cyclohexyloxy-5-nitro-phenyl)-hydroxy-methyl]-phosphonic acid; compound with phenylamine
  参考文献：
  名称：

  Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45

  摘要：

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00174-0
• 作为产物：
  描述：

  p-甲苯磺酸环己酯 、 5-硝基水杨醛 在 sodium hydroxide 作用下， 生成 2-Cyclohexyloxy-5-nitrobenzaldehyd
  参考文献：
  名称：

  杂环化合物的合成。第二十四部分。用邻位取代的芳基卡宾和芳基亚硝烯前体进行环化研究

  摘要：

  邻二烷基氨基取代的苯甲醛的甲苯磺酰的热分解和光分解产生二氢吲哚。已经探索了这种环化的范围和机理。此外，苯甲醛甲苯磺酰腙与ø -烷氧基- ，ø -thioalkyl-，和ø -膦取代基以及相应的重氮烷进行热解和光解。从这些前体的碳烯的产物与来自类似的氮宾的前体[获得的那些进行比较即ARN 3或ARNO 2 +（RO）3 P]。

  DOI：

  10.1039/j39710003693

文献信息

• Syntheses of heterocyclic compounds. Part XXIV. Cyclisation studies with ortho-substituted arylcarbene and arylnitrene precursors
  作者：G. V. Garner、D. B. Mobbs、H. Suschitzky、J. S. Millership

  DOI：10.1039/j39710003693

  日期：——

  indolines. The scope and mechanism of this cyclisation have been explored. Moreover, benzaldehyde tosylhydrazones with o-alkoxy-, o-thioalkyl-, and o-phosphonate substituents as well as the corresponding diazoalkanes were pyrolysed and photolysed. The products from these carbene precursors were compared with those obtained from the analogous nitrene precursors [i.e. ArN3 or ArNO2+(RO)3P].

  邻二烷基氨基取代的苯甲醛的甲苯磺酰的热分解和光分解产生二氢吲哚。已经探索了这种环化的范围和机理。此外，苯甲醛甲苯磺酰腙与ø -烷氧基- ，ø -thioalkyl-，和ø -膦取代基以及相应的重氮烷进行热解和光解。从这些前体的碳烯的产物与来自类似的氮宾的前体[获得的那些进行比较即ARN 3或ARNO 2 +（RO）3 P]。
• Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45
  作者：Scott A. Beers、Elizabeth A. Malloy、Wei Wu、Michael P. Wachter、Uma Gunnia、Druie Cavender、Crafford Harris、Janet Davis、Ruth Brosius、J.Lee Pellegrino-Gensey、John Siekierka

  DOI：10.1016/s0968-0896(97)00174-0

  日期：1997.12

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.