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potassium neohexanoate

中文名称
——
中文别名
——
英文名称
potassium neohexanoate
英文别名
Potassium;3,3-dimethylbutanoate
potassium neohexanoate化学式
CAS
——
化学式
C6H11O2*K
mdl
——
分子量
154.25
InChiKey
FGCJBZDJERTDRD-UHFFFAOYSA-M
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -2.82
  • 重原子数:
    9
  • 可旋转键数:
    2
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.83
  • 拓扑面积:
    40.1
  • 氢给体数:
    0
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    N-甲基邻苯二甲酰亚胺potassium neohexanoate丙酮 为溶剂, 反应 23.0h, 以80%的产率得到3-(2,2-dimethylpropyl)-3-hydroxy-2-methyl-2,3-dihydroisoindol-1-one
    参考文献:
    名称:
    The Photodecarboxylative Addition of Carboxylates to Phthalimides: Scope and Limitations
    摘要:
    Intermolecular photoinduced decarboxylative additions of a series of alkylcarboxylates to N-substituted phthalimides gave the corresponding hydroxy-plithalimidines in moderate to high yields of 39-89%. The potassium salt of 1-adamantanecarboxylic acid predominately underwent simple decarboxylation when irradiated in the presence of N-methylphthalimide. In case of phthalimides carrying suitable leaving groups within the N-side chain, decarboxylation, retro-Aldol cleavage or decarbonylation preceded the intermolecular addition step.
    DOI:
    10.3987/com-02-s77
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文献信息

  • Ni(I)–Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers
    作者:Rosie J. Somerville、Carlota Odena、Marc F. Obst、Nilay Hazari、Kathrin H. Hopmann、Ruben Martin
    DOI:10.1021/jacs.0c04695
    日期:2020.6.24
    electrophiles has reached remarkable levels of sophistica-tion, the intermediacy of (phenanthroline)Ni(I)-alkyl species - complexes proposed in numerous Ni-catalyzed reductive cross-coupling reactions - has been subject to speculation. Herein, we report the synthesis of such elusive (phenanthro-line)Ni(I) species and their reactivity with CO2, allowing us to address a long-standing question related to
    尽管未活化的烷基亲电试剂的催化羧化已经达到了显着的复杂程度,但(咯啉)Ni(I)-烷基物种的中间体 - 在许多 Ni 催化的还原交叉偶联反应中提出的配合物 - 一直受到推测。在此,我们报告了这种难以捉摸的(线)Ni(I) 物质的合成及其与 CO2 的反应性,使我们能够解决与属催化羧化反应相关的长期存在的问题。
  • New trimer catalyst additives for improving foam processability
    申请人:Air Products and Chemicals, Inc.
    公开号:EP1852450A2
    公开(公告)日:2007-11-07
    The present invention provides trimerization catalyst compositions and methods to produce a polyisocyanurate/polyurethane foam using such trimerization catalyst compositions. The catalyst composition is the contact product of at least one α,β-unsaturated carboxylate salt and at least one second carboxylate salt.
    本发明提供了三聚催化剂组合物和使用这种三聚催化剂组合物生产聚异氰酸酯/聚酯泡沫塑料的方法。催化剂组合物是至少一种α,β-不饱和羧酸盐和至少一种第二羧酸盐的接触产物。
  • Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties
    申请人:Huntsman International LLC
    公开号:US10428170B1
    公开(公告)日:2019-10-01
    Polyurethane/polyisocyanurate foam insulation described herein is derived from a composition that contains an organic polyisocyanate, an isocyanate reactive material containing at least about 20% by weight, based on the total weight of the composition, of an aromatic polyester polyol, a hydrocarbon blowing agent, a first catalyst selected from the group consisting of a carboxylate salt of an alkali metal, a carboxylate salt of an alkaline earth metal, a carboxylate salt of a quaternary ammonium, and combinations thereof, and a second catalyst comprising a non-reactive tertiary amine, wherein a molar ratio of the first catalyst to the second catalyst is less than about 1.25, the composition gels quickly, and the composition has an isocyanate index greater than about 175. Such an insulating foam has a ratio of thermal conductivity at 75° F. to thermal conductivity at 25° F. between about 0.98 and about 1.10.
    本发明所述的聚酯/聚异氰酸酯泡沫隔热材料来自一种组合物,该组合物含有一种有机多异氰酸酯、一种异氰酸酯反应材料(按组合物总重量计算,至少含有约 20% 的芳香族聚酯多元醇)、一种烃类发泡剂、选自碱羧酸盐、碱土羧酸盐、季羧酸盐及其组合的第一催化剂, 以及由非反应性叔胺组成的第二催化剂,其中第一催化剂与第二催化剂的摩尔比 小于约 1。25,组合物能快速凝胶,组合物的异氰酸酯指数大于约 175。这种隔热泡沫在华氏 75 度时的导热系数与在华氏 25 度时的导热系数之比介于约 0.98 和约 1.10 之间。
  • HALOBUTYL ELASTOMERS
    申请人:Lanxess Inc.
    公开号:EP1913077A1
    公开(公告)日:2008-04-23
  • NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY
    申请人:Evonik Operations GmbH
    公开号:EP3144332B1
    公开(公告)日:2020-10-21
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