5-hydroxy-2-oxo-pentanoic acid | 104092-74-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 5-hydroxy-2-oxo-pentanoic acid
• 英文别名: 5-hydroxy-2-oxo-valeric acid；5-Hydroxy-2-oxo-valeriansaeure；5-hydroxy 2-oxo pentanoic acid；5-Hydroxy-2-oxopentanoic acid
• CAS: 104092-74-2
• 化学式: C₅H₈O₄
• mdl: MFCD19228509
• 分子量: 132.116
• InChiKey: MMTYWJNSFWVPPS-UHFFFAOYSA-N

物化性质

• 沸点：
  282.4±23.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-hydroxy-2-oxo-pentanoic acid 生成 4-羟基丁醛
  参考文献：
  名称：

  Normant, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1949, vol. 229, p. 1348

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-5-羟基戊酸 在 kidneys-substances 作用下， 生成 5-hydroxy-2-oxo-pentanoic acid
  参考文献：
  名称：

  Neber, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1936, vol. 240, p. 70,77

  摘要：

  DOI：

文献信息

• A copper-catalyzed coupling reaction of vinyl halides and carbazates: application in the assembly of polysubstituted pyrroles
  作者：Chengang Zhou、Dawei Ma

  DOI：10.1039/c3cc49724k

  日期：——

  CuI-catalyzed coupling of vinyl halides with carbazates gives N-protected N-alkenylhydrazines, which are condensed with ketones under acidic conditions to give polysubstituted pyrroles. The pyrrole synthesis may go through a similar mechanism with Fischer indole synthesis, which involves a [3,3]-sigmatropic rearrangement and other reactions.

  CuI催化的乙烯基卤化物与氨基甲酸酯的偶合生成N-保护的N-烯基肼，将其在酸性条件下与酮缩合，得到多取代的吡咯。吡咯合成可能会通过与Fischer吲哚合成相似的机理进行，其中涉及[3,3]-σ重排和其他反应。
• Derivatives of 1,2-dihydro 2-oxo quinoxalines, their preparation and
  申请人：Pierre Fabre Medicament

  公开号：US05198441A1

  公开（公告）日：1993-03-30

  New derivatives of 1,2-dihydro 2-oxo quinoxalines corresponding to the general formula I: ##STR1## in which: R is a hydrogen or halogen atom R.sub.1 is a hydrogen atom or a straight or branched C.sub.1 -C.sub.4 alkyl radical R.sub.2 is: a hydrogen atom a C(O)R.sub.4 radical in which R.sub.4 is a straight or branched C.sub.1 -C.sub.4 alkyl group a C(O)NHR.sub.5 radical in which R.sub.5 is a straight or branched C.sub.1 -C.sub.4 alkyl radical or a phenyl group A is a C.sub.1 -C.sub.4 alkaline chain R.sub.3 represents: a hydrogen atom, a C.sub.1 -C.sub.4 alkyl radical, a C.sub.3 -C.sub.6 cycloalkyl radical, an alcynyl, nitrile, hydroxyl, carboxamido, pyridyl, phenyl group, or a phenyl group substituted by a halogen atom, a C.sub.1 -C.sub.4 alkyl group, a C.sub.1 -C.sub.4 alkoxy group or a nitro group an alkenyl radical of the formula: ##STR2## in which R.sub.6, R.sub.7 may, independently of each other, be a hydrogen atom, a C.sub.1 -C.sub.4 alkyl group, a phenyl group or an alkoxycarbonyl group a radical of the formula: --OC(O)R.sub.8 in which R.sub.8 represents a C.sub.1 -C.sub.4 alkyl radical a radical of the formula: --OC(O)NHR.sub.9 in which R.sub.9 represents a straight or branched C.sub.1 -C.sub.4 alkyl group, or a phenyl group may assume values from 2 to 4. as well as the therapeutically acceptable organic or inorganic salts of these molecules. The compounds are useful in the treatment of respiratory disorders.

  1,2-二氢-2-酮喹喔啉的新衍生物对应于一般式I: 在其中：R是氢原子或卤素原子，R.sub.1是氢原子或直链或支链C.sub.1-C.sub.4烷基基团，R.sub.2是：氢原子，C(O)R.sub.4基团，其中R.sub.4是直链或支链C.sub.1-C.sub.4烷基团，C(O)NHR.sub.5基团，其中R.sub.5是直链或支链C.sub.1-C.sub.4烷基基团或苯基，A是C.sub.1-C.sub.4碱性链，R.sub.3代表：氢原子，C.sub.1-C.sub.4烷基基团，C.sub.3-C.sub.6环烷基基团，烯炔基，腈基，羟基，羧胺基，吡啶基，苯基，或受卤素原子取代的苯基，C.sub.1-C.sub.4烷基基团，C.sub.1-C.sub.4烷氧基团或硝基基团，一种烯基基团的式子：其中R.sub.6，R.sub.7可能独立地为氢原子，C.sub.1-C.sub.4烷基基团，苯基或烷氧羰基基团，一种式子的基团：--OC(O)R.sub.8，其中R.sub.8代表C.sub.1-C.sub.4烷基基团，一种式子的基团：--OC(O)NHR.sub.9，其中R.sub.9代表直链或支链C.sub.1-C.sub.4烷基基团，或苯基，可能取值为2到4，以及这些分子的在治疗上可接受的有机或无机盐。这些化合物在呼吸系统疾病的治疗中很有用。
• Korte; Machleidt, Chemische Berichte, 1957, vol. 90, p. 2137,2146
  作者：Korte、Machleidt

  DOI：——

  日期：——
• Korte; Buechel, Chemische Berichte, 1959, vol. 92, p. 877,881
  作者：Korte、Buechel

  DOI：——

  日期：——
• Neber, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1936, vol. 240, p. 70,77
  作者：Neber

  DOI：——

  日期：——