cis-3,4-Dimethylhex-3-en-2,5-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-3,4-Dimethylhex-3-en-2,5-dione
• 英文别名: 3,4-Dimethylhex-3-ene-2,5-dione；3,4-dimethylhex-3-ene-2,5-dione
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: XBKXIJHVBOOZSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 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：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-丁炔 在 iron(III) perchlorate 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以42%的产率得到cis-3,4-Dimethylhex-3-en-2,5-dione
  参考文献：
  名称：

  Rana; Kaur; Kumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 12, p. 1170 - 1171

  摘要：

  DOI：

文献信息

• Products of the Gas-Phase Reactions of NO₃ Radicals with Furan and Tetramethylfuran
  作者：Torsten Berndt、Olaf Böge、Wolfgang Rolle

  DOI：10.1021/es960669z

  日期：1997.4.1

  Furan and substituted furans were found to be atmospheric reaction products of the OH radical-initiated degradation of conjugated dienes, such as 1,3-butadiene, cis-13-pentadiene, and isoprene. They are also products of combustion processes. The purpose of this work is to identify the primary formed stable reaction products of the reaction of NO3 radicals toward furan and tetramethylfuran. Experiments were performed under flow conditions in the pressure range 5.5 < P (mbar) < 100 at 298 K. GC-MS/FID, direct MS, and long-path FT-IR served as detection techniques. cis-Butenedial and 3H-furan-2-one were found as main products of the reaction of NO3 radicals with furan in N-2 with averaged formation yields of 0.77 and 0.19, respectively, independent of total pressure in the tube. In experiments with a maximum O-2 concentration of 2.2 x 10(18) molecule cm(-3), an increase of the 3H-furan-2-one yield was observed up to 0.38. There were no indications for the formation of nitrates or peroxynitrates. In the reaction of NO3 radicals with tetramethylfuran, the detected reaction product was assigned to cis-3,4-dimethylhex-3-en-2,5-dione, tentatively. Using the relative rate method, the rate constant for the reaction of NO3 radicals with 3H-furan-2-one was determined to be (1.76 +/- 0.23) x 10(-13) cm(3) molecule(-1) s(-1).
• Rana; Kaur; Kumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 12, p. 1170 - 1171
  作者：Rana、Kaur、Kumar、Kumar、Anand

  DOI：——

  日期：——