butatriene-d4 | 25294-38-6

• 分子结构分类: 有机化合物 - 叠烯 - 无环联烯
• 英文名称: butatriene-d4
• 英文别名: Tetradeutero-butatrien；Butatrien-d4；tetradeuterio-butatriene；1,3,3-Butatriene-1,1,4,4-d4
• CAS: 25294-38-6
• 化学式: C₄H₄
• 分子量: 56.044
• InChiKey: WHVXVDDUYCELKP-LNLMKGTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  5-(2,2,5,5-tetradeuteriocyclopentylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 在 variation of temp. 作用下， 生成 乙烯 、 butatriene-d4
  参考文献：
  名称：

  An experimental and theoretical evaluation of the intramolecular reactions of cyclohexyne

  摘要：

  DOI：

  10.1021/ja00252a028

文献信息

• Laser-ion beam photodissociation studies of C4H4 radical cations
  作者：R. E. Krailler、D. H. Russell

  DOI：10.1002/oms.1210201004

  日期：1985.10

  AbstractThe laser‐ion beam photodissociation for [C4H4]+˙ ions produced from a variety of precursors has been studied. Based on the data it is apparent that two structurally distinct forms of the [C4H4]+˙ ion are produced by fragmentation of larger systems. The relative population of the various structural forms is very dependent on the internal energy of the fragmenting ion, with 1‐buten‐3‐yne [C4H4]+˙ ions being favored at low internal energies. As the internal energy of the reactant ion is increased, the relative population of butatriene [C4H4]+˙ ions increases. The laser‐ion beam photodissociation technique is able to selectively sample these two structural forms.