(Z)-4,5-dimethyl-hept-3-en-2-one | 104664-56-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-4,5-dimethyl-hept-3-en-2-one
• 英文别名: (Z)-4,5-dimethyl-3-hepten-2-one；(Z)-4,5-dimethylhept-3-en-2-one
• CAS: 104664-56-4
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: YUDLCGLDGITZFO-VURMDHGXSA-N

物化性质

• 沸点：
  194.6±9.0 °C(Predicted)
• 密度：
  0.834±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  phosphoric acid diethyl ester 1-methyl-3-oxo-but-1-enyl ester 在 碲化氢 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.83h， 生成 (Z)-4,5-dimethyl-hept-3-en-2-one
  参考文献：
  名称：

  Diastereoselective synthesis of α,β-unsaturated systems

  摘要：

  Functionalized Z-vinylic tellurides were used in substitution reactions with lower order cyanocuprates leading to alpha, beta-unsaturated ketones and esters in good yields. In the case of acyclic tellurides, the product was obtained in high diastereoselectivity. The control of the stereoselectivity was achieved by simple change of the reaction temperature. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.025

文献信息

• A stereoselective synthesis of .alpha.,.beta.-unsaturated ketones involving the reactions of organocuprates with .beta.-alkylthio .alpha.,.beta.-enones
  作者：R. Karl Dieter、Louis A. Silks

  DOI：10.1021/jo00374a034

  日期：1986.11
• DIETER R. K.; SILKS L. A., III, J. ORG. CHEM., 51,(1986) N 24, 4687-4701
  作者：DIETER R. K.、 SILKS L. A., III

  DOI：——

  日期：——
• Diastereoselective synthesis of α,β-unsaturated systems
  作者：Priscila Castelani、João V. Comasseto

  DOI：10.1016/j.tet.2005.01.025

  日期：2005.2

  Functionalized Z-vinylic tellurides were used in substitution reactions with lower order cyanocuprates leading to alpha, beta-unsaturated ketones and esters in good yields. In the case of acyclic tellurides, the product was obtained in high diastereoselectivity. The control of the stereoselectivity was achieved by simple change of the reaction temperature. (C) 2005 Elsevier Ltd. All rights reserved.