2-丙酰基-1,3-环己二酮 | 104775-30-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-丙酰基-1,3-环己二酮
• 英文名称: 2-propionyl-3-hydroxy-2-cyclohexen-1-one
• 英文别名: 2-(1-oxoproyl)cyclohexane-1,3-dione；2-propionyl-1,3-cyclohexanedione；2-propionylcyclohexane-1,3-dione；2-propionyldihydroresorcinol；2-propionyl-cyclohexane-1,3-dione；2-Propionyl-cyclohexan-1,3-dion；2-Propanoylcyclohexane-1,3-dione
• CAS: 104775-30-6
• 化学式: C₉H₁₂O₃
• mdl: MFCD00513072
• 分子量: 168.192
• InChiKey: DVLHCJHTXAHANV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-丙酰基-1,3-环己二酮 生成 1-(2,6-dihydroxyphenyl)-1-propanone
  参考文献：
  名称：

  Method of preparing 2-acylresorcinols

  摘要：

  一种制备2-酰基邻苯二酚的方法，包括在存在脱氢催化剂（如第VIII族金属）或脱氢剂（如硫或硒）的情况下，将一般式中R¹代表烷基、芳基或芳基的2-酰基-1,3-环己二酮进行脱氢反应，反应温度升高，得到一般式中R¹和R²如定义的2-酰基邻苯二酚。

  公开号：

  EP0331422A3
• 作为产物：
  描述：

  1,3-环己二酮 、 丙酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 甲苯 为溶剂， 反应 32.0h， 以68%的产率得到2-丙酰基-1,3-环己二酮
  参考文献：
  名称：

  Total Synthesis and Stereochemistry of Alternaric Acid

  摘要：

  Determination of the stereochemistry and the total synthesis of alternaric acid 1 has been achieved. The stereostructure of 1 has been elucidated by stereoselective synthesis of four diastereoisomers of the C(9)-C(14) fragment 6, which had been obtained as a degradation product during structural studies. Key reactions of the total synthesis of 1 include the Julia olefination of tertiary aldehyde 6 and phenylsulfone 7 and novel one-pot construction of 3-acyl-4-hydroxy-5,6-dihydro-2-pyrone via Fries-type rearrangement of the O-enol acyl group of beta-keto-delta-valerolactone toward the a-position of the delta-lactone. The absolute configuration of alternaric acid has been shown to be that illustrated in structure 1. The modified Fries-type rearrangement method has also been extended to the synthesis of some other compounds containing a tricarbonylmethane structure.

  DOI：

  10.1021/jo00096a016

文献信息

• Process for the production of acylated 1,3-dicarbonyl compounds
  申请人：Stauffer Chemical Company

  公开号：US04695673A1

  公开（公告）日：1987-09-22

  An acylated 1,3-dicarbonyl compound is produced by rearrangement of the corresponding enol ester in the presence of a cyanide source. In one embodiment the cyanide source is employed with a molar excess of a moderate base, with respect to the enol ester. In another embodiment, the cyanide source is a stoichiometric amount, with respect to the enol ester, of potassium or lithium cyanide and a catalytic amount of a crown ether is used.

  在一个实施例中，通过在存在氰源的情况下重新排列相应的烯醇酯，产生了一种酰化的1,3-二羰基化合物。在另一个实施例中，氰源与适量的中等碱（相对于烯醇酯）一起使用。氰源是与烯醇酯的化学计量量的钾或锂氰化物，并且使用了催化量的冠醚。
• [EN] NEW AMINOPYRAZOLOQUINAZOLINES<br/>[FR] NOUVELLES AMINOPYRAZOLOQUINAZOLINES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012010704A1

  公开（公告）日：2012-01-26

  The present invention encompasses compounds of general formula (I) wherein the groups R1 to R3 and X are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain such compounds and their use as medicaments.

  本发明涵盖了一般式（I）的化合物，其中基团R1至R3和X的定义如权利要求书中所述，适用于治疗由细胞过度或异常增殖特征的疾病，包含这种化合物的药物制剂以及它们作为药物的用途。
• AMINOPYRAZOLOQUINAZOLINES
  申请人：Treu Matthias

  公开号：US20120238542A1

  公开（公告）日：2012-09-20

  Compounds of general formula (I) wherein the groups R 1 to R 3 and X are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain such compounds and their use as medicaments.

  通式（I）中R1至R3和X组的定义如索赔1所述，适用于治疗以细胞过度或异常增殖为特征的疾病，包含此类化合物的药物制剂以及它们作为药物的用途。
• 2-Chloro-1,3-dimethylimidazolinium Chloride. 1. A Powerful Dehydrating Equivalent to DCC
  作者：Toshio Isobe、Tsutomu Ishikawa

  DOI：10.1021/jo990210y

  日期：1999.9.1

  2-Chloro-1,3-dimethylimidazolinium chloride (DMC) (3) can act as a powerful dehydrating agent, replacing DCC (1) under nearly neutral conditions. Its application to acylation and dehydration is described.
• FR2240915
  申请人：——

  公开号：——

  公开（公告）日：——