4,4-二甲基-1-甲氧基-1-苯基-1-戊烯-3-酮 | 100972-00-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 4,4-二甲基-1-甲氧基-1-苯基-1-戊烯-3-酮
• 英文名称: 4,4-dimethyl-1-methoxy-1-phenyl-1-penten-3-one
• 英文别名: 1-methoxy-4,4-dimethyl-1-phenyl-pent-1-en-3-one；1-Methoxy-4,4-dimethyl-1-phenyl-pent-1-en-3-on；(Z)-1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
• CAS: 100972-00-7
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: QMBGWVXAPDRIMV-BENRWUELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4-二甲基-1-甲氧基-1-苯基-1-戊烯-3-酮 在 羟胺 作用下， 生成 3-(tert-butyl)-5-phenylisoxazole
  参考文献：
  名称：

  Imura, Nippon Kagaku Zasshi, 1957, vol. 78, p. 48

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-benzylidenepinacolone 在 溴 、 sodium methylate 、 溶剂黄146 作用下， 生成 4,4-二甲基-1-甲氧基-1-苯基-1-戊烯-3-酮
  参考文献：
  名称：

  Imura, Nippon Kagaku Zasshi, 1957, vol. 78, p. 48

  摘要：

  DOI：

文献信息

• PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS
  申请人：Kohli Steck Rachel

  公开号：US20100234485A1

  公开（公告）日：2010-09-16

  The present invention provides organometallic latent catalyst compounds, which are suitable as catalysts in polyaddition or polycondensation reactions which are catalysed by a Lewis acid type catalyst, in particular for the crosslinking of a blocked or unblocked isocyanate or isothiocyanate component with a polyol or polythiolto form a polyurethane (PU).

  本发明提供了有机金属潜伏催化剂化合物，适用于由Lewis酸类催化剂催化的聚加成反应或缩聚反应中作为催化剂，特别是用于将受阻或未受阻的异氰酸酯或异硫氰酸酯组分与多元醇或多硫醇交联以形成聚氨酯（PU）。
• Functional group hybrids. Reactivity of .alpha.'-nucleofuge .alpha.,.beta.-unsaturated ketones. 2. Reactions with malonate anion. Concerning the mechanism of the Favorskii rearrangement
  作者：Thomas R. Barbee、Hedeel Guy、Mary Jane Heeg、Kim F. Albizati

  DOI：10.1021/jo00024a015

  日期：1991.11

  The scope and limiations of the reaction of alpha'-nucleofuge alpha,beta-unsaturated ketones with sodium dimethyl malonate has been studied systematically. The substrates with good nucleofuges (halides, mesylate) give cyclopropanols upon reaction with malonate anion by way of a conjugate Favorskii reaction. In reactions with substrates containing the poorer nucleofuge (acetoxy) conjugate addition proceeded without entering the Favorskii manifold. Concerning the mechanism of the Favorskii reaction, it is suggested that the loss of the nucleofuge occurs to give a 2-oxyallyl cation, but that disrotatory ring closure is facile and the only products observed result from nucleophilic trapping of cyclopropanones to yield cyclopropanols in fair to good yield.
• US8318830B2
  申请人：——

  公开号：US8318830B2

  公开（公告）日：2012-11-27
• [EN] PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS<br/>[FR] CATALYSEURS PHOTOLATENTS À BASE DE COMPOSÉS ORGANOMÉTALLIQUES
  申请人：CIBA HOLDING INC

  公开号：WO2009050115A1

  公开（公告）日：2009-04-23

  The present invention provides organometallic latent catalyst compounds, which aresuitable as catalysts in polyaddition or polycondensation reactions which are catalysed by a Lewis acid type catalyst, in particular for the crosslinking of a blocked or unblocked isocyanate or isothiocyanate component with a polyol or polythiolto form a polyurethane (PU).
• Imura, Nippon Kagaku Zasshi, 1957, vol. 78, p. 48
  作者：Imura

  DOI：——

  日期：——