6-acetoxy-2-butylhexanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-acetoxy-2-butylhexanoic acid
• 英文别名: 6-Acetyloxy-2-butylhexanoic acid；6-acetyloxy-2-butylhexanoic acid
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: OPRPDRBFRBKRLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丁位壬内酯 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 二氢吡啶 、 2,4,5,6-四(9H-咔唑-9-基)异酞腈 、 氢溴酸 、 caesium carbonate 、 溶剂黄146 、 C₂₆H₄₀Br₂N₂Ni 、 三乙胺 作用下， 以 N-甲基吡咯烷酮 、 乙醚 、 二氯甲烷 为溶剂， 75.0 ℃ 、100.0 kPa 条件下， 反应 28.0h， 生成 6-acetoxy-2-butylhexanoic acid
  参考文献：
  名称：

  动力学控制镍催化的未活化仲烷基溴的直接羧化反应，无链步走

  摘要：

  在此，我们报道了光氧化还原和镍催化合并实现的未活化仲烷基溴的直接羧化，这是以前在羧化领域无法企及的努力。位点选择性是由 Ni（I）-烷基物质的快速形成在初始 C（sp3）-Br 位点的动力学控制插入 CO2 决定的，从而避免了不需要的 β-氢化物消除和链式行走过程。初步的机理实验揭示了立体电子效应在引导反应性和位点选择性方面的微妙之处。

  DOI：

  10.1021/jacs.3c11205

文献信息

• SOLVENT BORNE THERMOSET POLYAMIDE URETHANE AND/OR UREA BASED COATINGS
  申请人：Lubrizol Advanced Materials, Inc.

  公开号：US20220220248A1

  公开（公告）日：2022-07-14

  The present invention relates to thermoset polymer solution, such as a polyurethanes and/or polyureas that include sufficient polyamide to give polyamide strength, adhesion, and durability, wherein the polymer solutions can be prepared as a one-component or two component solvent-borne coating composition. The polyamides give a harder, more chemical resistant, and often tougher thermoset, than similar water-borne polyurethanes rich in polyamide. The compositions of this disclosure differ from other polyamides as they have been formulated to be appropriate viscosity to use as coatings and then have crosslinking technology to form hard thermoset films.
• [EN] SOLVENT BORNE THERMOSET POLYAMIDE URETHANE AND/OR UREA BASED COATINGS<br/>[FR] REVÊTEMENTS AU SOLVANT À BASE DE POLYAMIDE-URÉTHANE ET/OU DE POLYAMIDE-URÉE THERMODURCIS
  申请人：LUBRIZOL ADVANCED MAT INC

  公开号：WO2020243213A1

  公开（公告）日：2020-12-03

  The present invention relates to thermoset polymer solution, such as a polyurethanes and/or polyureas that include sufficient polyamide to give polyamide strength, adhesion, and durability, wherein the polymer solutions can be prepared as a one-component or two component solvent-borne coating composition. The polyamides give a harder, more chemical resistant, and often tougher thermoset, than similar water-borne polyurethanes rich in polyamide. The compositions of this disclosure differ from other polyamides as they have been formulated to be appropriate viscosity to use as coatings and then have crosslinking technology to form hard thermoset films.
• Kinetically-Controlled Ni-Catalyzed Direct Carboxylation of Unactivated Secondary Alkyl Bromides without Chain Walking
  作者：Jacob Davies、Julien R. Lyonnet、Bjørn Carvalho、Basudev Sahoo、Craig S. Day、Francisco Juliá-Hernández、Yaya Duan、Álvaro Velasco-Rubio、Marc Obst、Per-Ola Norrby、Kathrin H. Hopmann、Ruben Martin

  DOI：10.1021/jacs.3c11205

  日期：2024.1.24

  Herein, we report the direct carboxylation of unactivated secondary alkyl bromides enabled by the merger of photoredox and nickel catalysis, a previously inaccessible endeavor in the carboxylation arena. Site-selectivity is dictated by a kinetically controlled insertion of CO2 at the initial C(sp3)–Br site by the rapid formation of Ni(I)–alkyl species, thus avoiding undesired β-hydride elimination

  在此，我们报道了光氧化还原和镍催化合并实现的未活化仲烷基溴的直接羧化，这是以前在羧化领域无法企及的努力。位点选择性是由 Ni（I）-烷基物质的快速形成在初始 C（sp3）-Br 位点的动力学控制插入 CO2 决定的，从而避免了不需要的 β-氢化物消除和链式行走过程。初步的机理实验揭示了立体电子效应在引导反应性和位点选择性方面的微妙之处。