Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate | 78861-19-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate
• 英文别名: Methyl 3-bromo-4-(4-methylphenyl)-4-oxobutanoate
• CAS: 78861-19-5
• 化学式: C₁₂H₁₃BrO₃
• 分子量: 285.137
• InChiKey: UNLQVMYHFLCLOS-UHFFFAOYSA-N

物化性质

• 沸点：
  355.0±32.0 °C(Predicted)
• 密度：
  1.399±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate 在 sodium hydroxide 、 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 2.5h， 生成 3-(4-甲基苯甲酰)丙酸
  参考文献：
  名称：

  Bhat, K. S.; Rao, A. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 5, p. 355 - 358

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(4-甲基苯甲酰)丙酸 在 三氯化铝 硫酸 、 溴 作用下， 以 四氯化碳 、 乙醚 为溶剂， 反应 0.08h， 生成 Methyl 3-bromo-4-keto-4-(4'-methylphenyl)butanoate
  参考文献：
  名称：

  Bhat, K. S.; Rao, A. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 5, p. 355 - 358

  摘要：

  DOI：

文献信息

• Imidazo[1,2-a]pyridin-3-yl-acetic acid hydrazides, processes for their preparation and pharmaceutical uses thereof
  申请人：FERRER INTERNACIONAL, S.A.

  公开号：EP1803722A1

  公开（公告）日：2007-07-04

  The invention provides novel imidazo[1,2-a]pyridin-3-yl-acetic acid hydrazides of formula (I) wherein R1, R2 and R3 have different meanings, and pharmaceutically acceptable salts, polymorphs, hydrates, tautomers, solvates and stereoisomers thereof. Compounds of formula (I) are useful for treating or preventing diseases associated with GABAA receptors modulation, anxiety, epilepsy, sleep disorders including insomnia, and for inducing sedation-hypnosis, anesthesia, sleep and muscle relaxation. The invention also provides synthetic procedures for preparing said compounds and certain intermediate compounds thereof.

  这项发明提供了式(I)的新型咪唑[1,2-a]吡啶-3-基乙酸腙，其中R1、R2和R3具有不同的含义，以及其药学上可接受的盐、多型体、水合物、互变异构体、溶剂合物和立体异构体。式(I)的化合物对治疗或预防与GABAA受体调节、焦虑、癫痫、包括失眠在内的睡眠障碍以及诱导镇静-催眠、麻醉、睡眠和肌肉松弛相关的疾病有用。该发明还提供了用于制备所述化合物及其某些中间化合物的合成方法。
• BHAT, K. S.;RAO, A. S., INDIAN J. CHEM., 1981, 20, N 5, 355-358
  作者：BHAT, K. S.、RAO, A. S.

  DOI：——

  日期：——
• IMIDAZO (1,2-A)PYRIDIN-3-YL-ACETIC ACID HYDRAZIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL USES THEREOF
  申请人：Ferrer Internacional, S.A.

  公开号：EP1973907B1

  公开（公告）日：2009-05-06
• Imidazo (1,2-a)Pyridin-3-YL-Acetic Acid Hydrazides, Proesses for Their Preparation and Pharmaceutical Uses Thereof
  申请人：Falco Jose Luis

  公开号：US20090176777A1

  公开（公告）日：2009-07-09

  The invention provides novel imidazo[1,2-a]pyridin-3-yl-acetic acid hydrazides of formula (I) wherein R 1 , R 2 and R 3 have different meanings, and pharmaceutically acceptable salts, polymorphs, hydrates, tautomers, solvates and stereoisomers thereof. Compounds of formula (I) are useful for treating or preventing, in a human or non-human mammal, diseases associated with GABA A receptors modulation, anxiety, epilepsy, sleep disorders including insomnia, and for inducing sedation-hypnosis, anesthesia, sleep and muscle relaxation. The invention also provides synthetic processes for preparing said compounds.
• IMIDAZO [1,2-A] PYRIDIN-3-YL-ACETIC ACID HYDRAZIDES, PROCESSES, USES AND COMPOSITIONS
  申请人：FALCÓ José Luís

  公开号：US20110118256A1

  公开（公告）日：2011-05-19

  The invention provides novel imidazo[1,2-a]pyridin-3-yl-acetic acid hydrazides of formula (I) wherein R 1 , R 2 and R 3 have different meanings, and pharmaceutically acceptable salts, polymorphs, hydrates, tautomers, solvates and stereoisomers thereof. Compounds of formula (I) are useful for treating or preventing, in a human or non-human mammal, diseases associated with GABA A receptors modulation, anxiety, epilepsy, sleep disorders including insomnia, and for inducing sedation-hypnosis, anesthesia, sleep and muscle relaxation. The invention also provides synthetic processes for preparing said compounds.