2-methyl-3-oxo-pentanal (Z)-1-enol tautomer | 62350-70-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-3-oxo-pentanal (Z)-1-enol tautomer
• 英文别名: (Z)-1-hydroxy-2-methyl-pent-1-en-3-one；(Z)-1-hydroxy-2-methylpent-1-en-3-one
• CAS: 62350-70-3
• 化学式: C₆H₁₀O₂
• 分子量: 114.144
• InChiKey: RBSRVLAVTIXANZ-PLNGDYQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-3-oxo-pentanal (Z)-1-enol tautomer 在 盐酸 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 3.17h， 生成 3-ethyl-2,5-dimethylhexa-2,5-dienal
  参考文献：
  名称：

  Benzoannulation of ketones

  摘要：

  DOI：

  10.1021/jo00137a026
• 作为产物：
  描述：

  (Z)-3-trimethylsiloxy-2-pentene 、 Vilsmeier's reagent 以 二氯甲烷 为溶剂， 以76%的产率得到2-methyl-3-oxo-pentanal (Z)-1-enol tautomer
  参考文献：
  名称：

  用 Vilsmeier 试剂对 O-甲硅烷基化烯醇酯进行甲酰化

  摘要：

  摘要 三甲基甲硅烷醇醚和 Vilsmeier 试剂反应生成相应的区域可控 β-二羰基化合物，收率高到良好。

  DOI：

  10.1080/00397910008086899

文献信息

• The Baker's Yeast Reduction of the β-Keto Aldehydes in the Presence of a Sulfur Compound
  作者：Ryuuichirou Hayakawa、Makato Shimizu

  DOI：10.1055/s-1999-2824

  日期：1999.8
• Ihara, Masataka; Chihiro, Masatoshi; Fukumoto, Keiichiro, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 1, p. 373 - 376
  作者：Ihara, Masataka、Chihiro, Masatoshi、Fukumoto, Keiichiro、Kametani, Tetsuji

  DOI：——

  日期：——
• Photoannelations with .alpha.-formyl ketones. Enol specificity in the reaction of acyclic .alpha.-formyl ketones with alkenes
  作者：Steven W. Baldwin、Robert E. Gawley、Ronald J. Doll、Kenneth H. Leung

  DOI：10.1021/jo00900a052

  日期：1975.6
• Hybrid Cyclic Libraries and Screens Thereof
  申请人：Liu Jun O.

  公开号：US20140073581A1

  公开（公告）日：2014-03-13

  Provided are novel types of hybrid cyclic libraries that contain a known protein binding domain of a natural product. Also provided are synthetic methods to make such libraries and methods for the deconvolution of hits using partially split-pooled library compounds. Such methods are applicable for use with the entire human proteome to screen such libraries that bind and for the identification of hits.
• HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF
  申请人：The Johns Hopkins University

  公开号：US20160115203A1

  公开（公告）日：2016-04-28

  Provided are novel types of hybrid cyclic libraries that contain a known protein binding domain of a natural product. Also provided are synthetic methods to make such libraries and methods for the deconvolution of hits using partially split-pooled library compounds. Such methods are applicable for use with the entire human proteome to screen such libraries that bind and for the identification of hits.