2,2,6,6-tetramethyl-4-acetoxyheptane-3,5-dione | 69825-62-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,6,6-tetramethyl-4-acetoxyheptane-3,5-dione
• 英文别名: 4-acetoxy-2,2,6,6-tetramethyl-3,5-heptanedione；4-Acetoxy-2,2,6,6-tetramethyl-3,5-heptandion；4-(acetyloxy)-2,2,6,6-tetramethyl 3,5-heptanedione；(2,2,6,6-tetramethyl-3,5-dioxoheptan-4-yl) acetate
• CAS: 69825-62-3
• 化学式: C₁₃H₂₂O₄
• 分子量: 242.315
• InChiKey: XBPDWQFBLLKKMK-UHFFFAOYSA-N

物化性质

• 沸点：
  314.5±32.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2,6,6-tetramethyl-4-acetoxyheptane-3,5-dione 在 溴 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以40%的产率得到2,2,6,6-tetramethyl-heptane-3,4,5-trione
  参考文献：
  名称：

  Barillier, Daniel, Phosphorus and Sulfur and the Related Elements, 1980, vol. 8, p. 79 - 86

  摘要：

  DOI：
• 作为产物：
  描述：

  一氧化碳 、 叔丁基锂 、 乙酸酐 生成 2,2,6,6-tetramethyl-4-acetoxyheptane-3,5-dione
  参考文献：
  名称：

  Synthesis of .alpha.-hydroxy ketones by direct, low-temperature, in situ nucleophilic acylation of aldehydes and ketones by acyllithium reagents

  摘要：

  The reaction of n-, sec-, and tert-butyllithium with CO at atmospheric pressure at -110 and -135-degrees-C in the appropriate solvent system in the presence of ketones and aldehydes generates the acyllithium, RC(O)Li, which reacts with the carbonyl compound to give the alpha-hydroxy ketone, generally in good yield. Reactions with aldehydes are limited in scope, working well with the t-BuLi-derived acyllithium reagents, but not with n-BuC(O)Li.

  DOI：

  10.1021/jo00047a014

文献信息

• 2-substituted-4,6-di-tertiarybutyl-5-hydroxy-1,3-pyrimidines useful as
  申请人：Warner-Lambert Company

  公开号：US05177079A1

  公开（公告）日：1993-01-05

  The present invention is novel compounds which are 2-substituted-4,6-di-tertiarybutyl-5-hydroxy-1,3-pyrimidines and pharmaceutically acceptable acid addition or base salts thereof, pharmaceutical compositions and methods of use therefor. The invention compounds are now found to have activity as inhibitors of 5-lipoxygenease and/or cyclooxygenase providing treatment of conditions advantageously affected by such inhibition including inflammation, arthritis, pain, fever and the like. Thus, the present invention is also a pharmaceutical composition or method of manufacturing a pharmaceutical composition for the use of treating the noted conditions.

  本发明涉及新颖化合物，即2-取代-4,6-二叔丁基-5-羟基-1,3-嘧啶及其药学上可接受的酸盐或碱盐，以及用于其药用组合物和使用方法。发明化合物现已发现具有作为5-脂氧合酶和/或环氧合酶抑制剂的活性，可用于治疗受到此类抑制有利影响的病症，包括炎症、关节炎、疼痛、发热等。因此，本发明还涉及一种用于治疗上述病症的药物组合物或制备药物组合物的方法。
• 2-substituted-4,6-di-tertiary-butyl-5-hydroxy-1,3-pyrimidines useful as
  申请人：Warner-Lambert Company

  公开号：US05340815A1

  公开（公告）日：1994-08-23

  The present invention is novel compounds which are 2-substituted-4,6-di-tertiarybutyl-5-hydroxy-1,3-pyrimidines and pharmaceutically acceptable acid addition or base salts thereof, pharmaceutical compositions and methods of use therefor. The invention compounds are now found to have activity as inhibitors of 5-lipoxygenase and/or cyclooxygenase providing treatment of conditions advantageously affected by such inhibition including inflammation, arthritis, pain, fever and the like. Thus, the present invention is also a pharmaceutical composition or method of manufacturing a pharmaceutical composition for the use of treating the noted conditions.

  本发明涉及一种新型化合物，即2-取代的4,6-二叔丁基-5-羟基-1,3-嘧啶及其药学上可接受的酸盐或碱盐，以及其制备的药物组合物和使用方法。这些发明化合物现已发现具有5-脂氧合酶和/或环氧合酶抑制剂的活性，可治疗受此类抑制剂有利影响的炎症、关节炎、疼痛、发热等疾病。因此，本发明还涉及一种制备用于治疗上述疾病的药物组合物或制备药物组合物的方法。
• 5-hydroxy-2-pyrimidinylmethylene derivatives useful as antiinflammatory
  申请人：Warner-Lambert Company

  公开号：US05270319A1

  公开（公告）日：1993-12-14

  The present invention is novel compounds which are 5-hydroxy-2-pyrimidinylmethylene derivatives and pharmaceutically acceptable addition salts, bases, and base salts thereof, pharmaceutical compositions and methods of use therefor. The invention compounds are found to have activity as inhibitors of 5-lipoxygenase and/or cyclooxygenase providing treatment of, for example, preferably inflammation.

  本发明涉及一种新型化合物，其为5-羟基-2-嘧啶甲醛衍生物及其药学上可接受的加成盐、碱和碱盐、制药组合物和使用方法。本发明化合物被发现具有抑制5-脂氧合酶和/或环氧化酶的活性，可用于治疗例如炎症等病症。
• Substituted heteroaryl analogs of
  申请人：Warner-Lambert Company

  公开号：US05432181A1

  公开（公告）日：1995-07-11

  The present invention is novel compounds which are 4,6-di-tertiary-butyl-5-hydroxy-1,3-pyrimidine substituted 1,2,4- and 1,3,4-thiadiazoles and oxadiazoles, and 1,2,4-triazoles, and pharmaceutically acceptable additions and base salts thereof, pharmaceutical compositions and methods of use therefor. The invention compounds are now found to have activity as inhibitors of 5-lipoxygenase and/or cyclooxygenase providing treatment of conditions advantageously affected by such inhibition including inflammation, arthritis, pain, fever, and particularly rheumatoid arthritis, osteoarthritis, other inflammatory conditions, psoriasis, allergic diseases, asthma, inflammatory bowel disease, GI ulcers, cardiovascular conditions, including ischemic heart disease and atherosclerosis, and ischemia-induced cell damage, particularly brain damage caused by stroke. They can also be used topically for treating acne, sunburn, psoriasis, and eczema. Also included are leukotriene mediated pulmonary, gastrointestinal, inflammatory, dermatological, and cardiovascular conditions. The disclosed compounds also have potential utility as antioxidants. The preferred use is in treating inflammatory conditions.

  本发明涉及新型化合物，其为4,6-二叔丁基-5-羟基-1,3-嘧啶取代的1,2,4-和1,3,4-噻二唑、噁二唑和1,2,4-三唑化合物，以及其药学上可接受的补充物和盐基，药物组合物和使用方法。发明化合物现已发现具有5-脂氧合酶和/或环氧化酶抑制剂的活性，可用于治疗受到这种抑制优势影响的疾病，包括炎症、关节炎、疼痛、发热，特别是类风湿性关节炎、骨关节炎、其他炎症性疾病、牛皮癣、过敏性疾病、哮喘、炎症性肠病、胃肠溃疡、心血管疾病，包括缺血性心脏病和动脉粥样硬化，以及缺血引起的细胞损伤，尤其是中风引起的脑损伤。它们也可以用于局部治疗痤疮、晒伤、牛皮癣和湿疹。还包括白三烯介导的肺部、胃肠道、炎症、皮肤和心血管疾病。所披露的化合物也具有作为抗氧化剂的潜在用途。首选用途是治疗炎症性疾病。
• Substituted 4,6-di-tertiary-butyl 5-hydroxy-pyrimidines
  申请人：Warner-Lambert Company

  公开号：US05356898A1

  公开（公告）日：1994-10-18

  The present invention is novel compounds which are 4,6-di-tertiary-butyl-5-hydroxy-1,3-pyrimidine substituted 1,2,4- and 1,3,4-thiadiazoles and oxadiazoles, and 1,2,4-triazoles, and pharmaceutically acceptable additions and base salts thereof, pharmaceutical compositions and methods of use therefor. The invention compounds are now found to have activity as inhibitors of 5-lipoxygenase and/or cyclooxygenase providing treatment of conditions advantageously affected by such inhibition including inflammation, arthritis, pain, fever, and particularly rheumatoid arthritis, osteoarthritis, other inflammatory conditions, psoriasis, allergic diseases, asthma, inflammatory bowel disease, GI ulcers, cardiovascular conditions, including ischemic heart disease and atherosclerosis, and ischemia-induced cell damage, particularly brain damage caused by stroke. They can also be used topically for treating acne, sunburn, psoriasis, and eczema. Also included are leukotriene mediated pulmonary, gastrointestinal, inflammatory, dermatological, and cardiovascular conditions. The disclosed compounds also have potential utility as antioxidants. The preferred use is in treating inflammatory conditions. Thus, the present invention is also a pharmaceutical composition or method of manufacturing a pharmaceutical composition for the use of treating the noted conditions.

  本发明涉及一种新型化合物，其为4,6-二叔丁基-5-羟基-1,3-嘧啶取代的1,2,4-和1,3,4-噻二唑和噁二唑，以及1,2,4-三唑和其药学上可接受的补充物和碱盐，药物组合物和使用方法。该发明化合物现已发现具有5-脂氧合酶和/或环氧合酶抑制剂的活性，可用于治疗受此类抑制剂有利影响的疾病，包括炎症、关节炎、疼痛、发热，特别是类风湿性关节炎、骨关节炎、其他炎症性疾病、牛皮癣、过敏性疾病、哮喘、炎症性肠病、胃肠溃疡、心血管疾病，包括缺血性心脏病和动脉粥样硬化，以及缺血性细胞损伤，特别是中风引起的脑损伤。它们也可以局部用于治疗痤疮、晒伤、牛皮癣和湿疹。还包括白三烯介导的肺部、胃肠道、炎症性、皮肤和心血管疾病。所披露的化合物还具有潜在的抗氧化剂作用。首选用途是治疗炎症性疾病。因此，本发明还涉及一种制备用于治疗上述疾病的药物组合物或制备药物组合物的方法。