4-Acetoxy-3,5-di-tert-butylbenzaldehyde | 87133-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-Acetoxy-3,5-di-tert-butylbenzaldehyde
• 英文别名: 4-acetoxy-3,5-di-tert-butyl-benzaldehyde；4-Acetoxy-3,5-di-tert-butyl-benzaldehyd；(2,6-ditert-butyl-4-formylphenyl) acetate
• CAS: 87133-21-9
• 化学式: C₁₇H₂₄O₃
• 分子量: 276.376
• InChiKey: FITSKOJVYIXXRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Acetoxy-3,5-di-tert-butylbenzaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Synthesis and Molecular Shuttling of [2]Rotaxanes under Mild Conditions

  摘要：

  [2]以磷酸二苯酯为催化剂，从带有乙醇末端的假二十六烷和二重二氮甲烷合成了具有乙醇末端封端的轴和二苯并-24-冠醚-8 轮的二十六烷。反应在室温非极性溶剂中进行，历时数小时。由此获得的 [2]rotaxanes 表现为从 DBU 等强碱中提取的铵盐。因此，[2]轮烷的胺形式与弱酸 CO2-H2O 反应，生成[2]轮烷的碳酸氢盐。

  DOI：

  10.1246/cl.130108
• 作为产物：
  描述：

  α,α,4-triacetoxy-3,5-di-tert-butyltoluene 在 盐酸 、 乙醇 、 水 作用下， 反应 0.17h， 以98%的产率得到4-Acetoxy-3,5-di-tert-butylbenzaldehyde
  参考文献：
  名称：

  Melezhik, A. V.; Vovk, D. N.; Pokhodenko, V. D., Journal of general chemistry of the USSR, 1983, vol. 53, # 7, p. 1442 - 1447

  摘要：

  DOI：

文献信息

• Use of aryl nitrone compounds in methods for treating neuropathic pain
  申请人：——

  公开号：US20020165274A1

  公开（公告）日：2002-11-07

  3,4,5-trisubstituted aryl nitrone compounds having the formula: 1 where R 1 —R 4 are as defined in the specification are useful as therapeutics for neuropathic pain conditions in mammals.

  具有以下公式的3,4,5-三取代芳基亚硝基化合物：其中R1—R4如规范中定义的，对哺乳动物的神经病性疼痛症状具有治疗作用。
• 3,4,5-trisubstituted aryl nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation
  申请人：Centaur Pharmaceuticals, Inc.

  公开号：US06342523B1

  公开（公告）日：2002-01-29

  Disclosed are 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing such compounds. The 3,4,5-trisubstituted aryl nitrone compounds have the formula: where R1-R4 are as defined in the specification. The disclosed compositions are useful as therapeutics for inflammation-related conditions in mammals, such as arthritis, and as analytical reagents for detecting free radicals.

  揭示了3,4,5-三取代芳基亚硝基化合物及含有这种化合物的药物组合物。3,4,5-三取代芳基亚硝基化合物的化学式如下：其中R1-R4如规范中所定义。所披露的组合物可用作治疗哺乳动物炎症相关疾病，如关节炎，以及用作检测自由基的分析试剂。
• Aryl nitrone therapeutics for the treatment of inflammatory bowel disease
  申请人：Centaur Pharmaceuticals, Inc.

  公开号：US06083989A1

  公开（公告）日：2000-07-04

  Disclosed are methods for treating or preventing inflammatory bowel disease (IBD) using aryl nitrone compounds. Pharmaceutical compositions containing aryl nitrone compounds which are useful for the treatment or prophylaxis of IBD are also disclosed.

  本发明涉及使用芳基硝基化合物治疗或预防炎症性肠病(IBD)的方法。还公开了含有芳基硝基化合物的药物组合物，其可用于治疗或预防IBD。
• 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same
  申请人：RENOVIS, INC.

  公开号：US20040198835A1

  公开（公告）日：2004-10-07

  Disclosed are 3,4,5-trisubstituted aryl nitrone compoundsd and pharmaceutical compositions containing such compounds. The 3,4,5-trisubstituted aryl nitrone compounds have formula (I); where R 1 -R 4 are as defined in the specification. The disclosed compositions are useful as therapeutics for inflammation-related conditions in mammals, such as arthritis, and as analytical reagents for detecting free radicals.

  本发明涉及3,4,5-三取代基芳基亚硝基化合物及含有此类化合物的医药组合物。3,4,5-三取代基芳基亚硝基化合物的化学式为(I)，其中R1-R4如规范中定义。所述组合物可用于哺乳动物的与炎症相关的疾病，例如关节炎等治疗，并可作为检测自由基的分析试剂。
• 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same
  申请人：——

  公开号：US20030078297A1

  公开（公告）日：2003-04-24

  Disclosed are 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing such compounds. The 3,4,5-trisubstituted aryl nitrone compounds have formula (I); where R 1 -R 4 are as defined in the specification. The disclosed compositions are useful as therapeutics for inflammation-related conditions in mammals, such as arthritis, and as analytical reagents for detecting free radicals.

  本发明涉及3,4,5-三取代芳基亚硝基化合物和含有这种化合物的制药组合物。3,4,5-三取代芳基亚硝基化合物具有式（I），其中R1-R4如规范中所定义。所披露的组合物可用作哺乳动物炎症相关疾病（如关节炎）的治疗药物，以及用于检测自由基的分析试剂。