peroxyisovaleric acid | 19910-12-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: peroxyisovaleric acid
• 英文别名: Peroxyisovaleriansaeure；perisovaleric acid；3-Methylbutaneperoxoic acid
• CAS: 19910-12-4
• 化学式: C₅H₁₀O₃
• 分子量: 118.133
• InChiKey: GTLLKMCVRPVGBK-UHFFFAOYSA-N

物化性质

• 沸点：
  31-32 °C(Press: 1 Torr)
• 密度：
  1.050±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  peroxyisovaleric acid 、 对氯甲基苯乙烯 、 丙烯酸 在 三氟甲烷磺酸亚铜(I)苯联合体 (2:1) 、 C₄₇H₂₃F₂₈N₃O₂ 、 lithium hexamethyldisilazane 作用下， 以 甲苯 、 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  铜催化自由基对映选择性合成具有两个非邻位碳立构中心的γ-丁内酯

  摘要：

  报道了一种铜催化的自由基对映选择性三组分反应，用于合成带有两个非邻位碳立构中心的手性γ-丁内酯。该方法不仅能够生产具有优异对映选择性的两种非对映异构体，而且还可以根据条件选择性地提供单一非对映异构体或所有四种非对映异构体。

  DOI：

  10.1002/anie.202304275
• 作为产物：
  描述：

  异戊酸酐 在 双氧水 作用下， 生成 peroxyisovaleric acid
  参考文献：
  名称：

  Formation and Thermal Decomposition of Butyl-Substituted Peroxyacyl Nitrates: n-C4H9C(O)OONO2 and i-C4H9C(O)OONO2

  摘要：

  The butyl-substituted peroxyacyl nitrates n-C4H9C(O)-OONO2 and i-C4H9C(O)OONO2 have been synthesized in the liquid phase, prepared in-situ in the gas phase by sunlight irradiation of aldehyde-NO mixtures, measured by electron capture gaschromatography, and characterized in a number of gas-phase and liquid-phase tests. Gas-phase yields as a fraction of initial NO were 0.39 for the n-butyl isomer and 0.20 for the isobutyl isomer. The corresponding gas-phase aldehyde oxidation mechanisms are outlined. Thermal decomposition in the presence of excess NO yielded n-butanal and isobutanal as the major carbonyl products. Thermal decomposition rates at ambient temperature and atmospheric pressure are comparable to that of PAN [CH3C(O)OONO2], with k298 = 1.8 X 10(-4) s-1 for n-C4H9C(O)OONO2 and 2.4 X 10(-4) s-1 for i-C4H9C(O)OONO2. Emission data for precursor hydrocarbons indicate C4H9C(O)OONO2/PAN ambient concentration ratios of <0.19 in urban air. Atmospheric implications for the formation and removal Of C4H9C-(O)OONO2 are briefly discussed.

  DOI：

  10.1021/es00055a019

文献信息

• Perhydrolase
  申请人：Amin Neelam S.

  公开号：US20080145353A1

  公开（公告）日：2008-06-19

  The present invention provides methods and compositions comprising at least one perhydrolase enzyme for cleaning and other applications. In some particularly preferred embodiments, the present invention provides methods and compositions for generation of peracids. The present invention finds particular use in applications involving cleaning, bleaching and disinfecting.

  本发明提供了一种包括至少一种过氧化酶酶的方法和组合物，用于清洁和其他应用。在一些特别优选实施例中，本发明提供了用于生成过氧酸的方法和组合物。本发明在涉及清洁、漂白和消毒的应用中具有特殊用途。
• Implications of interannual variability in atmospheric circulation on modeled CO₂ concentrations and source estimates
  作者：R. J. Dargaville、R. M. Law、F. Pribac

  DOI：10.1029/1999gb001166

  日期：2000.9

  The impact of the interannual variability (IAV) of atmospheric transport on atmospheric CO₂ observations is often ignored in carbon cycle studies. We use 8 years of analyzed European Centre for Medium‐Range Weather Forecasts (ECMWF) wind fields from 1985–1992 to demonstrate the effect of IAV of the circulation on modeled CO₂ concentrations for fossil and biosphere CO₂ sources. The wind fields are used to drive the Melbourne University Tracer Model. The modeled annual mean CO₂ values at observing locations show little IAV in the fossil case. In the biosphere case the IAV of the annual mean is considerably larger, especially in the high northern latitudes. Simulated baseline selection using modeled radon concentrations does not reduce the IAV. In both cases, surface layer interhemispheric differences show small interannual variations indicating small changes in interhemispheric transport. Source fields from a mass balance inversion using 1985–1992 ECMWF winds are compared with those from inversions using a single year of winds repeated for each year of observations. We find differences in semi‐hemispheric sources of up to 0.6 Gt C yr⁻¹ at some times. However, 8 year mean sources show smaller differences, mostly less than 0.2 Gt C yr⁻¹ at regional scales. This indicates that the variability in the circulation is a second order factor in determining the sources from inversion calculations.

  在碳循环研究中，大气传输的年际变率（IAV）对大气二氧化碳观测结果的影响往往被忽视。我们利用分析的欧洲中期天气预报中心（ECMWF）1985-1992 年的 8 年风场来证明环流年际变率对化石和生物圈二氧化碳源的模型二氧化碳浓度的影响。风场用于驱动墨尔本大学示踪模型。在化石源情况下，观测地点的模型年平均二氧化碳值显示出很小的 IAV。在生物圈情况下，年平均值的 IAV 要大得多，尤其是在北纬高纬度地区。使用模型氡浓度进行模拟基线选择并不会减少 IAV。在这两种情况下，表层半球间差异的年际变化都很小，表明半球间传输的变化很小。将使用 1985-1992 年 ECMWF 风进行质量平衡反演的源场与使用每年观测重复的单年风进行反演的源场进行了比较。我们发现，在某些时候，半半球源的差异高达 0.6 Gt C yr-1。不过，8 年平均源的差异较小，在区域范围内大多小于 0.2 Gt C yr-1。这表明环流的变化是决定反演计算来源的二阶因素。
• Eggersgluess, Angewandte Chemie, 1951, vol. 61, p. 16,74,84
  作者：Eggersgluess

  DOI：——

  日期：——
• Formation and Thermal Decomposition of Butyl-Substituted Peroxyacyl Nitrates: n-C4H9C(O)OONO2 and i-C4H9C(O)OONO2
  作者：Daniel. Grosjean、Eric. Grosjean、Edwin L. Williams

  DOI：10.1021/es00055a019

  日期：1994.6

  The butyl-substituted peroxyacyl nitrates n-C4H9C(O)-OONO2 and i-C4H9C(O)OONO2 have been synthesized in the liquid phase, prepared in-situ in the gas phase by sunlight irradiation of aldehyde-NO mixtures, measured by electron capture gaschromatography, and characterized in a number of gas-phase and liquid-phase tests. Gas-phase yields as a fraction of initial NO were 0.39 for the n-butyl isomer and 0.20 for the isobutyl isomer. The corresponding gas-phase aldehyde oxidation mechanisms are outlined. Thermal decomposition in the presence of excess NO yielded n-butanal and isobutanal as the major carbonyl products. Thermal decomposition rates at ambient temperature and atmospheric pressure are comparable to that of PAN [CH3C(O)OONO2], with k298 = 1.8 X 10(-4) s-1 for n-C4H9C(O)OONO2 and 2.4 X 10(-4) s-1 for i-C4H9C(O)OONO2. Emission data for precursor hydrocarbons indicate C4H9C(O)OONO2/PAN ambient concentration ratios of <0.19 in urban air. Atmospheric implications for the formation and removal Of C4H9C-(O)OONO2 are briefly discussed.
• Copper‐Catalyzed Radical Enantioselective Synthesis of γ<i>‐</i>Butyrolactones with Two Non‐vicinal Carbon Stereocenters
  作者：Mengyu Xue、Jinfeng Cui、Xiaotao Zhu、Fei Wang、Daqi Lv、Zaicheng Nie、Yajun Li、Hongli Bao

  DOI：10.1002/anie.202304275

  日期：2023.7.10

  radical enantioselective three-component reaction used for the synthesis of chiral γ-butyrolactones bearing two non-vicinal carbon stereocenters is reported. This method has the power to not only produce both diastereoisomers with excellent enantioselectivities but can also provide selectively a single diastereoisomer or all four diastereoisomers depending on the conditions.

  报道了一种铜催化的自由基对映选择性三组分反应，用于合成带有两个非邻位碳立构中心的手性γ-丁内酯。该方法不仅能够生产具有优异对映选择性的两种非对映异构体，而且还可以根据条件选择性地提供单一非对映异构体或所有四种非对映异构体。