1-苯基-2-(1-甲基乙基)-2-丙烯-1-酮 | 80325-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苯基-2-(1-甲基乙基)-2-丙烯-1-酮
• 英文名称: 1-phenyl-2-(1-methylethyl)-2-propen-1-one
• 英文别名: 2-(1-methylethyl)-1-phenyl-2-propen-1-one；2-isopropyl-1-phenyl-2-propen-1-one；2-Isopropyl-1-phenyl-2-propen-1-on；3-methyl-2-methylidene-1-phenylbutan-1-one
• CAS: 80325-63-9
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: JGGXQMKYHHNJAF-UHFFFAOYSA-N

物化性质

• 沸点：
  252.6±13.0 °C(Predicted)
• 密度：
  0.955±0.06 g/cm3(Predicted)
• 保留指数：
  1351

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-叔丁基羟胺 、 1-苯基-2-(1-甲基乙基)-2-丙烯-1-酮 以 二氯甲烷 为溶剂， 反应 24.0h， 以65%的产率得到2-[[tert-butyl(hydroxy)amino]methyl]-3-methyl-1-phenylbutan-1-one
  参考文献：
  名称：

  Nitroxides (aminyl oxides). 39. Formation of polycyclic dimers from vinyl nitroxides and their dissociation and isomerization

  摘要：

  DOI：

  10.1021/jo00256a017
• 作为产物：
  描述：

  三氯化苄 、 3-甲基-2-丁酮 以70%的产率得到
  参考文献：
  名称：

  STEINIGER, M.;SCHAEFER, H. J., ANGEW. CHEM., 1982, 94, N 1, 75-76

  摘要：

  DOI：

文献信息

• Cathodic Addition of Benzylidyne Trichloride to Ketones and Aldehydes
  作者：Michael Steiniger、Hans J. Schäfer

  DOI：10.1246/bcsj.61.125

  日期：1988.1

  Ketones are converted to homologated enones 7a–g in good yields by cathodic addition of benzylidyne trichloride (1d). As intermediates α-chlorooxiranes 6 are assumed, which rearrange via α-keto carbenium ions 9 to enones. The intermediacy of 9 is supported by the addition of 1d to norcamphor, where the products indicate equilibrating norbornyl cations as intermediates. α,β-Unsaturated ketones lead depending on steric shielding of the double bond to the cyclopropane 23 as 1,4-adduct or the enone 26 as 1,2-adduct. With aldehydes and 1d, α-chloro or α-hydroxy ketones, the conversion products of 2-chlorooxiranes, are obtained.

  通过阴极加成三氯化苄基 (1d)，酮以良好的产率转化为同系烯酮 7a–g。假定α-氯环氧乙烷6作为中间体，其通过α-酮碳鎓离子9重排为烯酮。 9 的中间体通过向去甲樟脑添加 1d 得到支持，其中产物表明平衡降冰片基阳离子作为中间体。 α,β-不饱和酮根据双键的空间屏蔽导致作为1,4-加合物的环丙烷23或作为1,2-加合物的烯酮26。用醛和1d、α-氯或α-羟基酮，得到2-氯环氧乙烷的转化产物。
• α-Olefins as Alkenylmetal Equivalents in Catalytic Conjugate Addition Reactions
  作者：Chun-Yu Ho、Hirohisa Ohmiya、Timothy F. Jamison

  DOI：10.1002/anie.200705163

  日期：2008.2.22
• Identification of alkylarene chloromethylation products using gas-chromatographic retention indices
  作者：I. G. Zenkevich、A. A. Makarov

  DOI：10.1134/s1070363207040196

  日期：2007.4

  Gas-chromatographic retention indices on standard nonpolar polydimethylsiloxane stationary phases allow identification of products formed by known organic reactions even without using mass-spectrometric data. The efficiency of this approach was demonstrated by the example of identification of previously uncharacterized chloromethyl derivatives of alkylarenes, including structural isomers of compounds containing several chloromethyl groups, directly in reaction mixtures. Chromatographic analysis of such reaction mixtures allows identification of positional isomers of the starting alkylarenes even when they are present simultaneously. The retention indices were determined for the first time for more than 50 alkyl-(chloromethyl)arenes, by-products of chloromethylation, and chloromethyl derivatives of the simplest alkyl phenyl ketones.
• Steiniger, Michael; Schaefer, Hans J., Angewandte Chemie, 1982, vol. 94, # 1, p. 75 - 76
  作者：Steiniger, Michael、Schaefer, Hans J.

  DOI：——

  日期：——
• STEINIGER, MICHAEL;SCHAFER, HANS J., BULL. CHEM. SOC. JAP., 61,(1988) N 1, 125-132
  作者：STEINIGER, MICHAEL、SCHAFER, HANS J.

  DOI：——

  日期：——