2-Butanon | 60595-38-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Butanon
• 英文别名: 2-Butanon-3-d；2-Butanon-3-d1；3-deuterio-butan-2-one；3-Deuteriobutan-2-one
• CAS: 60595-38-2
• 化学式: C₄H₈O
• 分子量: 73.099
• InChiKey: ZWEHNKRNPOVVGH-WFVSFCRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  but-3-en-2-ol 在 三(乙酰丙酮酸)钌(III) 作用下， 反应 0.25h， 以86%的产率得到2-Butanon
  参考文献：
  名称：

  Georgoulis, C.; Valery, J. M.; Ville, G., Synthetic Communications, 1984, vol. 14, # 11, p. 1043 - 1046

  摘要：

  DOI：

文献信息

• Highly Efficient Antibody-Catalyzed Deuteration of Carbonyl Compounds
  作者：Avidor Shulman、Danielle Sitry、Hagit Shulman、Ehud Keinan

  DOI：10.1002/1521-3765(20020104)8:1<229::aid-chem229>3.0.co;2-p

  日期：2002.1.4

  Antibody 38C2 efficiently catalyzes deuterium-exchange reactions at the alpha position of a variety of ketones and aldehydes, including substrates that have a variety of sensitive functional groups. In addition to the regio- and chemoselectivity of these reactions, the catalytic rates (kcat) and rate-enhancement values (kcat/kun) are among the highest values ever observed with catalytic antibodies

  抗体38C2可有效催化多种酮和醛（包括具有多种敏感官能团的底物）的α位上的氘交换反应。除了这些反应的区域选择性和化学选择性之外，催化速率（kcat）和速率增强值（kcat / kun）也是催化抗体有史以来的最高值。将催化抗体的底物范围与高度进化的醛缩酶（例如兔肌肉醛缩酶）进行比较，突显了该抗体的更广泛的实用范围，该抗体可以接受多种底物。氢交换反应用于抗体活性位点的校准和作图。
• GEORGOULIS, C.;VALERY, J. M.;VILLE, G., SYNTH. COMMUN., 1984, 14, N 11, 1043-1046
  作者：GEORGOULIS, C.、VALERY, J. M.、VILLE, G.

  DOI：——

  日期：——
• Georgoulis, C.; Valery, J. M.; Ville, G., Synthetic Communications, 1984, vol. 14, # 11, p. 1043 - 1046
  作者：Georgoulis, C.、Valery, J. M.、Ville, G.

  DOI：——

  日期：——
• Preparation of Cp-Functionalized N-Heterocyclic Carbene Complexes of Ruthenium. Resolution of Chiral Complexes and Catalytic Studies
  作者：André Pontes da Costa、José A. Mata、Beatriz Royo、Eduardo Peris

  DOI：10.1021/om100090c

  日期：2010.4.12

  A series of piano-stool ruthenium(II) complexes bearing bidentate cyclopentadienyl-functionalized N-heterocyclic carbene ligands Ru(Cp-X-NHC)(CO)I [Cp = tetramethylcyclopentadienyl (Cp*) and tetrabenzylcyclopentadienyl (Cp-Bz)] have been prepared by the diastereoselective reaction of the imidazolium Cp-X-NHC proligands with [Ru-3(CO)(12)]. The new complexes have been characterized by spectroscopic techniques and X-ray diffraction methods. The enantiopure complexes have been separated by preparative thin-layer chromatography of the diastereomeric mixtures resulting from the reaction of the Ru(Cp-X-NHC)(CO)I compounds with an auxiliary chiral amine. Ru(Cp*-NHC)(CO)I is an efficient catalyst for the isomerization of allylic alcohols both in water and in THF.