2-methylallyl 2,3,4,5,6-pentafluorobenzoate

• 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: 2-methylallyl 2,3,4,5,6-pentafluorobenzoate
• 英文别名: 2-Methylprop-2-enyl 2,3,4,5,6-pentafluorobenzoate；2-methylprop-2-enyl 2,3,4,5,6-pentafluorobenzoate
• 化学式: C₁₁H₇F₅O₂
• 分子量: 266.167
• InChiKey: AVLOSHXCVBIGOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-methylallyl 2,3,4,5,6-pentafluorobenzoate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三对苯甲基膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以87%的产率得到1,2,3,4,5-五氟-6-(2-甲基丙-2-烯基)苯
  参考文献：
  名称：

  Allylarenes的合成通过烯丙基苯甲酸酯催化脱羧

  摘要：

  AbstractA catalyst system consisting of the palladium(0) complex Pd2(dba)3 and tri(p‐tolyl)phosphine was found to efficiently promote the decarboxylation of allyl benzoates with formation of allylarenes. This catalytic CO activation followed by extrusion of carbon dioxide and CC bond formation represents a sustainable alternative to traditional waste‐intensive cross‐couplings. The scope of the transformation includes allyl and cinnamyl esters of various ortho‐substituted benzoic acids. For particularly activated substrates, the palladium catalyst can optionally be replaced by an inexpensive nickel complex.magnified image

  DOI：

  10.1002/adsc.201400624
• 作为产物：
  描述：

  2,3,4,5,6-五氟苯甲酸 、 2-甲基-2-丙烯-1-醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以73%的产率得到2-methylallyl 2,3,4,5,6-pentafluorobenzoate
  参考文献：
  名称：

  Allylarenes的合成通过烯丙基苯甲酸酯催化脱羧

  摘要：

  AbstractA catalyst system consisting of the palladium(0) complex Pd2(dba)3 and tri(p‐tolyl)phosphine was found to efficiently promote the decarboxylation of allyl benzoates with formation of allylarenes. This catalytic CO activation followed by extrusion of carbon dioxide and CC bond formation represents a sustainable alternative to traditional waste‐intensive cross‐couplings. The scope of the transformation includes allyl and cinnamyl esters of various ortho‐substituted benzoic acids. For particularly activated substrates, the palladium catalyst can optionally be replaced by an inexpensive nickel complex.magnified image

  DOI：

  10.1002/adsc.201400624

文献信息

• Reacting Molecular Oxygen with Butanone under Visible Light Irradiation: A General Aerobic Oxidation of Alkenes, Sulfides, Phosphines, and Silanes
  作者：Pengcheng Lian、Kaifeng Wang、Hang Liu、Ruyi Li、Minggang Li、Xiaoguang Bao、Xiaobing Wan

  DOI：10.1021/acs.orglett.3c03096

  日期：2023.11.10

  technique by reacting molecular oxygen with butanone under visible light irradiation. This method enables the mild oxidation of various functionalized compounds, including olefins, sulfides, phosphines, and silanes. Preliminary mechanistic experiments and theoretical calculations suggest that visible light triggers molecular oxygen to produce singlet oxygen in butanone. This singlet oxygen then reacts with

  在这里，我们提出了一种新颖的氧化技术，通过在可见光照射下使分子氧与丁酮反应。该方法能够温和氧化各种官能化化合物，包括烯烃、硫化物、膦和硅烷。初步的机理实验和理论计算表明，可见光触发分子氧在丁酮中产生单线态氧。然后，该单线态氧与丁酮反应，产生活性氧化物质。
• ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND
  申请人：Ube Industries, Ltd.

  公开号：EP2108640B1

  公开（公告）日：2012-07-25
• US8263268B2
  申请人：——

  公开号：US8263268B2

  公开（公告）日：2012-09-11
• Synthesis of Allylarenes<i>via</i>Catalytic Decarboxylation of Allyl Benzoates
  作者：Kai F. Pfister、Matthias F. Grünberg、Lukas J. Gooßen

  DOI：10.1002/adsc.201400624

  日期：2014.11.3

  AbstractA catalyst system consisting of the palladium(0) complex Pd2(dba)3 and tri(p‐tolyl)phosphine was found to efficiently promote the decarboxylation of allyl benzoates with formation of allylarenes. This catalytic CO activation followed by extrusion of carbon dioxide and CC bond formation represents a sustainable alternative to traditional waste‐intensive cross‐couplings. The scope of the transformation includes allyl and cinnamyl esters of various ortho‐substituted benzoic acids. For particularly activated substrates, the palladium catalyst can optionally be replaced by an inexpensive nickel complex.magnified image