4-methoxy-4-(4-methoxyphenyl)-2-butanone | 132924-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methoxy-4-(4-methoxyphenyl)-2-butanone
• 英文别名: 4-Methoxy-4-(4-methoxyphenyl)butan-2-one
• CAS: 132924-96-0
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: HJFVYPCRJFIJIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(三甲基硅氧基)丙烯 、 4-methoxy-4-(4-methoxyphenyl)-2-butanone 在 chloro(1,5-cyclooctadiene)rhodium(I) dimer 三甲基氰硅烷 作用下， 以 乙腈 为溶剂， 以75%的产率得到4-(4-methoxyphenyl)-2,6-heptanedione
  参考文献：
  名称：

  Efficient Activation of Acetals, Aldehydes, and Imines toward Silylated Nucleophiles by the Combined Use of Catalytic Amounts of [Rh(COD)Cl]₂and TMS-CN under Almost Neutral Conditions

  摘要：

  在[Rh(COD)Cl]2、Co(acac)2或NiCl2等过渡金属化合物的催化量存在下，三甲基硅基氰与缩醛顺利反应，以良好的产率生成α-甲氧基腈。在[Rh(COD)Cl]2和TMS-CN的催化量共存下，硅基烯醇醚或烯酮硅基缩醛与缩醛、醛或亚胺反应，在近乎中性的条件下以良好的产率生成相应的偶联产物。

  DOI：

  10.1246/bcsj.63.3122
• 作为产物：
  描述：

  2-(三甲基硅氧基)丙烯 、 4-甲氧基苯甲醛二甲缩醛 在 chloro(1,5-cyclooctadiene)rhodium(I) dimer 三甲基氰硅烷 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以87%的产率得到4-methoxy-4-(4-methoxyphenyl)-2-butanone
  参考文献：
  名称：

  Efficient Activation of Acetals, Aldehydes, and Imines toward Silylated Nucleophiles by the Combined Use of Catalytic Amounts of [Rh(COD)Cl]₂and TMS-CN under Almost Neutral Conditions

  摘要：

  在[Rh(COD)Cl]2、Co(acac)2或NiCl2等过渡金属化合物的催化量存在下，三甲基硅基氰与缩醛顺利反应，以良好的产率生成α-甲氧基腈。在[Rh(COD)Cl]2和TMS-CN的催化量共存下，硅基烯醇醚或烯酮硅基缩醛与缩醛、醛或亚胺反应，在近乎中性的条件下以良好的产率生成相应的偶联产物。

  DOI：

  10.1246/bcsj.63.3122

文献信息

• Method for enantioselective carbene C—H insertion using an iron-containing protein catalyst
  申请人：California Institute of Technology

  公开号：US10934531B2

  公开（公告）日：2021-03-02

  Methods for catalyzing C—H insertion reactions using heme enzymes are described. The present disclosure provides a method for producing a C—H insertion product comprising providing an substrate having an sp3-hybridized C—H bond, a carbene precursor such as a diazo reagent, and a heme enzyme, and admixing the components in a reaction for a time sufficient to produce the C—H insertion product. Heme enzyme variants useful for carrying out in vivo and in vitro C—H insertion reactions, as well as expression vectors and host cells expressing the heme enzymes, are also described.

  描述了使用血红素酶催化 C-H 插入反应的方法。本公开提供了一种生产 C-H 插入产物的方法，包括提供具有 sp3 杂化 C-H 键的底物、碳烯前体（如重氮试剂）和血红素酶，并在反应中将各组分混合足够长的时间以生产 C-H 插入产物。此外，还介绍了用于进行体内和体外 C-H 插入反应的血红素酶变体，以及表达载体和表达血红素酶的宿主细胞。
• SOGA, TSUNEHIKO;TAKENOSHITA, HARUHIRO;YAMADA, MASAAKI;MUKAIYAMA, TERUAKI, BULL. CHEM. SOC. JAP., 63,(1990) N1, C. 3122-3131
  作者：SOGA, TSUNEHIKO、TAKENOSHITA, HARUHIRO、YAMADA, MASAAKI、MUKAIYAMA, TERUAKI

  DOI：——

  日期：——
• METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST
  申请人：California Institute of Technology

  公开号：US20190276805A1

  公开（公告）日：2019-09-12

  Methods for catalyzing C—H insertion reactions using heme enzymes are described. The present disclosure provides a method for producing a C—H insertion product comprising providing an substrate having an sp 3 -hybridized C—H bond, a carbene precursor such as a diazo reagent, and a heme enzyme, and admixing the components in a reaction for a time sufficient to produce the C—H insertion product. Heme enzyme variants useful for carrying out in vivo and in vitro C—H insertion reactions, as well as expression vectors and host cells expressing the heme enzymes, are also described.
• [EN] A METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST<br/>[FR] PROCÉDÉ D'INSERTION C-H ÉNANTIOSÉLECTIVE DE CARBÈNE À L'AIDE D'UN CATALYSEUR PROTÉIQUE CONTENANT DU FER
  申请人：ZHANG RUIJIE

  公开号：WO2019147865A1

  公开（公告）日：2019-08-01

  Methods for catalyzing C-H insertion reactions using heme enzymes are described. The present disclosure provides a method for producing a C-H insertion product comprising providing an substrate having an sp3-hybridized C-H bond, a carbene precursor such as a diazo reagent, and a heme enzyme, and admixing the components in a reaction for a time sufficient to produce the C-H insertion product. Heme enzyme variants useful for carrying out in vivo and in vitro C-H insertion reactions, as well as expression vectors and host cells expressing the heme enzymes, are also described.