5-异丁基四氢呋喃-2-酮 | 18432-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 中文名称: 5-异丁基四氢呋喃-2-酮
• 英文名称: 4-isobutyl-γ-butyrolactone
• 英文别名: 5-isobutyldihydrofuran-2(3H)-one；4-isobutylbutanolide；5-isobutyl-dihydro-furan-2-one；5-Isobutyl-dihydro-furan-2-on；4-isobutyl-butanolide；4-Hydroxy-6-methyl-heptansaeure-lacton；2(3H)-Furanone, dihydro-5-(2-methylpropyl)-；5-(2-methylpropyl)oxolan-2-one
• CAS: 18432-37-6
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: CFNNUWKVCNMSFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  121-122 °C(Press: 12 Torr)
• 密度：
  0.965±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  5-异丁基四氢呋喃-2-酮 在 氯化亚砜 、 zinc(II) chloride 作用下， 反应 24.0h， 生成
  参考文献：
  名称：

  Catalytic Asymmetric γ-Alkylation of Carbonyl Compounds via Stereoconvergent Suzuki Cross-Couplings

  摘要：

  With the aid of a chiral nickel catalyst, enantioselective gamma- (and delta-) alkylations of carbonyl compounds can be achieved through the coupling of gamma-haloamides with alkylboranes. In addition to primary alkyl nucleophiles, for the first time for an asymmetric cross-coupling of an unactivated alkyl electrophile, an arylmetal, a boronate ester, and a secondary (cyclopropyl) alkylmetal compound are shown to couple with significant enantioselectivity. A mechanistic study indicates that cleavage of the carbon-halogen bond of the electrophile is irreversible under the conditions for asymmetric carbon-carbon bond formation.

  DOI：

  10.1021/ja2079515
• 作为产物：
  描述：

  (E)-6-methylhept-3-enenitrile 在 硫酸 作用下， 生成 5-异丁基四氢呋喃-2-酮
  参考文献：
  名称：

  Delaby; Lecomte, Bulletin de la Societe Chimique de France, 1937, vol. <5> 4, p. 1007,1011

  摘要：

  DOI：

文献信息

• A mild biosynthesis of lactones via enantioselective hydrolysis of hydroxynitriles
  作者：Julie A. Pollock、Karen M. Clark、Bethany J. Martynowicz、Matthew G. Pridgeon、Matthew J. Rycenga、Kristen E. Stolle、Stephen K. Taylor

  DOI：10.1016/j.tetasy.2007.07.034

  日期：2007.8

  We have developed a biocatalytic method to produce lactones and related compounds via the enzymatic hydrolysis of γ- and β-hydroxynitriles. The synthesis is a mild, general, and environmentally friendly way to enantioselectively hydrolyze nitriles with commercially available nitrilase enzymes. The synthesis of four pheromones is demonstrated via a one-step method.

  我们已经开发出一种生物催化方法，可通过酶水解γ-和β-羟基腈来生产内酯和相关化合物。合成是一种温和，通用且环保的方法，可利用市售的腈水解酶对映体选择性水解水解腈。通过一步法证明了四种信息素的合成。
• SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY
  申请人：Fujii Naoaki

  公开号：US20140288077A1

  公开（公告）日：2014-09-25

  In one aspect, the invention relates to substituted 4-phenoxyphenol analogs, derivatives thereof, and related compounds, which are useful as inhibitors of proliferating cell nuclear antigen (PCNA); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating hyperproliferative disorders associated with PCNA using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明涉及替代的4-苯氧基苯酚类似物、其衍生物和相关化合物，它们可用作增殖细胞核抗原（PCNA）的抑制剂；制备这些化合物的合成方法；包含这些化合物的制药组合物；以及使用这些化合物和组合物治疗与PCNA相关的高增殖性疾病的方法。本摘要旨在作为搜索特定领域的扫描工具，不限制本发明。
• PYRAZOLYL DERIVATIVES AS SYK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150191461A1

  公开（公告）日：2015-07-09

  The present invention provides novel pyrazole derivatives of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

  本发明提供了公式I的新型吡唑衍生物，它们是脾酪氨酸激酶的有效抑制剂，并可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺疾病、类风湿性关节炎和癌症。
• NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS
  申请人：VERNIER JEAN-MICHEL

  公开号：US20090170885A1

  公开（公告）日：2009-07-02

  This invention provided compounds of formula I where W and Z are, independently, CH or N, and where other substituents are defined herein. Such compounds are potassium channel modulators. The invention also provides a composition comprising a pharmaceutically acceptable carrier or excipient and at least one of the following: a pharmaceutically effective amount of a compound of formula I; a pharmaceutically acceptable salt of a compound of formula I; a pharmaceutically acceptable ester of a compound of formula I. The invention also provides a method of preventing or treating a disease or disorder which is affected by activities of potassium channels, comprising administering to a patient in need thereof a therapeutically effective amount of a compound of formula I or a salt or ester or solvate thereof.

  该发明提供了化合物I的公式，其中W和Z独立地为CH或N，其他取代基在此定义。这些化合物是钾通道调节剂。该发明还提供了一种组合物，包括药学上可接受的载体或赋形剂，以及以下至少一种：化合物I的药学有效量；化合物I的药学上可接受的盐；化合物I的药学上可接受的酯。该发明还提供了一种预防或治疗受钾通道活性影响的疾病或疾病的方法，包括向需要治疗的患者施用化合物I或其盐或酯或溶剂的治疗有效量。
• Fromm; Lischke, Chemische Berichte, 1900, vol. 33, p. 1203
  作者：Fromm、Lischke

  DOI：——

  日期：——