malonaldehyde | 64516-42-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: malonaldehyde
• 英文别名: malonaldehyde (Z)-enol tautomer；3c-hydroxy-propenal；(z)-3-Hydroxy-2-propenal；(Z)-3-hydroxyprop-2-enal
• CAS: 64516-42-3
• 化学式: C₃H₄O₂
• 分子量: 72.0636
• InChiKey: GMSHJLUJOABYOM-UPHRSURJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  malonaldehyde 以 solid matrix 为溶剂， 生成 malondialdehyde
  参考文献：
  名称：

  Experimental and theoretical studies of the photoisomerization of malonaldehyde isolated in rare gas matrixes

  摘要：

  The photochemistry of malonaldehyde (propanedial) has been studied using high-resolution FT-IR spectrometry. The sample, isolated in rare gas matrices (argon, krypton, and xenon), has been irradiated with broad band UV light. Experimental results have been compared to ab initio calculations to identify the created species. These comparisons prove the formation of some of the unstable stereoisomers of malonaldehyde. A detailed characterization of the new species has been performed.

  DOI：

  10.1021/j100124a024
• 作为产物：
  描述：

  1,2,3,5-tetrahydro-1,2,3-methenopentane 在 oxygen 作用下， 以 氘代氯仿 为溶剂， 以14%的产率得到
  参考文献：
  名称：

  10.1002/1521-3773(20020816)41

  摘要：

  DOI：

  10.1002/1521-3773(20020816)41

文献信息

• Coupling of 1,2-bis(alkoxyamino)cyclohexanes with 1,3-dicarbonyl compounds: first synthesis of 1,4-dialkoxy-2,3-dihydro-1,4-diazepinium salts
  作者：Evgenii A. Mostovich、Dmitrii G. Mazhukin、Yurii V. Gatilov、Tatyana V. Rybalova

  DOI：10.1016/j.mencom.2007.01.019

  日期：2007.1

  The reactions of two 1,2-bis(alkoxyamino)cyclohexanes with 2-substituted malonic aldehydes, acetylacetaldehyde and acetylacetone gave rise to imidazolidine derivatives, whereas 1,4-dialkoxy-2,3-dihydro-2,3-cyclohexano-1,4-diazepinium salts were the only products in acidic media.
• 10.1002/1521-3773(20020816)41
  作者：Fischer, Thomas、Kunz, Ulrike、Lackie, Sarah E.、Cohrs, Carsten、Palmer, Daniel D.、Christl, Manfred

  DOI：10.1002/1521-3773(20020816)41

  日期：——
• Experimental and theoretical studies of the photoisomerization of malonaldehyde isolated in rare gas matrixes
  作者：T. Chiavassa、P. Verlaque、L. Pizzala、A. Allouche、P. Roubin

  DOI：10.1021/j100124a024

  日期：1993.6

  The photochemistry of malonaldehyde (propanedial) has been studied using high-resolution FT-IR spectrometry. The sample, isolated in rare gas matrices (argon, krypton, and xenon), has been irradiated with broad band UV light. Experimental results have been compared to ab initio calculations to identify the created species. These comparisons prove the formation of some of the unstable stereoisomers of malonaldehyde. A detailed characterization of the new species has been performed.