(4Z)-4-甲基-4-己烯-2-酮 | 85470-78-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (4Z)-4-甲基-4-己烯-2-酮
• 英文名称: (Z)-4-methyl-4-hexen-2-one
• 英文别名: 4-methyl-4-hexen-2-one；(Z)-4-Methyl-hex-4-en-2-one；(Z)-4-methylhex-4-en-2-one
• CAS: 85470-78-6
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: NXWQWCMUNWCDGL-XQRVVYSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  乙酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 在 溶剂黄146 作用下， 生成 (4Z)-4-甲基-4-己烯-2-酮
  参考文献：
  名称：

  ZIRCONIUM ASSISTED REGIOSELECTIVE ACYLATION OF DIENES WITH SATURATED OR UNSATURATED ESTERS TO LEAD TO β,γ-UNSATURATED CARBONYL COMPOUNDS

  摘要：

  通过 Cp2Zr（异戊二烯）与饱和酯反应，然后用乙酸进行质子分解，实现了异戊二烯在 C1 原子上的区域选择性甲酰化或酰化。与各种丙烯酸烷基酯发生相应反应后，可生成烯丙基乙烯基酮。

  DOI：

  10.1246/cl.1983.217

文献信息

• Nickel-Catalyzed Electrochemical Couplings of Vinyl Halides:  Synthetic and Stereochemical Aspects
  作者：C. Cannes、S. Condon、M. Durandetti、J. Périchon、J.-Y. Nédélec

  DOI：10.1021/jo000182f

  日期：2000.7.1

  Homo- and cross-coupling involving alkenyl halides have been performed efficiently using an electroassisted nickel-complex catalysis. Valuable product such as conjugated dienes, beta,gamma- or gamma,delta-unsaturated esters, ketones, or nitriles, as well as alkenylated aryl compounds are thus prepared with high yields and high stereoselectivity. Partial isomerization is only observed in a few cases, when the alkenyl halide is involved in a late step of the catalytic cycle. This is the case in the preparation of (Z,Z)-1,3-diene.
• ZIRCONIUM ASSISTED REGIOSELECTIVE ACYLATION OF DIENES WITH SATURATED OR UNSATURATED ESTERS TO LEAD TO β,γ-UNSATURATED CARBONYL COMPOUNDS
  作者：Munetaka Akita、Hajime Yasuda、Akira Nakamura

  DOI：10.1246/cl.1983.217

  日期：1983.2.5

  Regioselective formylation or acylation of isoprene at the C1 atom was realized by reaction of Cp2Zr(isoprene) with saturated esters followed by protonolysis with acetic acid. The corresponding reaction with various alkyl acrylates resulted in the formation of allyl vinyl ketones.

  通过 Cp2Zr（异戊二烯）与饱和酯反应，然后用乙酸进行质子分解，实现了异戊二烯在 C1 原子上的区域选择性甲酰化或酰化。与各种丙烯酸烷基酯发生相应反应后，可生成烯丙基乙烯基酮。