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1-oxo-1-(p-tolyl)propan-2-yl benzoate

中文名称
——
中文别名
——
英文名称
1-oxo-1-(p-tolyl)propan-2-yl benzoate
英文别名
[1-(4-Methylphenyl)-1-oxopropan-2-yl] benzoate
1-oxo-1-(p-tolyl)propan-2-yl benzoate化学式
CAS
——
化学式
C17H16O3
mdl
——
分子量
268.312
InChiKey
WRTFYBUVUWERCH-UHFFFAOYSA-N
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):
    4
  • 重原子数:
    20
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    43.4
  • 氢给体数:
    0
  • 氢受体数:
    3

反应信息

  • 作为产物:
    描述:
    Potassium benzoate 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下, 生成 1-oxo-1-(p-tolyl)propan-2-yl benzoate
    参考文献:
    名称:
    Temnikowa; Petrowa, Zhurnal Obshchei Khimii, 1951, vol. 21, p. 677,681; engl. Ausg. S. 745, 749
    摘要:
    DOI:
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文献信息

  • <i>n</i>Bu<sub>4</sub>NI-Catalyzed α-Benzoxylation of Ketones with Terminal Aryl Alkenes
    作者:Buddhadeb Mondal、Subas Chandra Sahoo、Subhas Chandra Pan
    DOI:10.1002/ejoc.201500233
    日期:2015.5
    A metal-free protocol for the α-benzoxylation of ketones has been developed by using terminal aryl alkenes as an arylcarboxy surrogate. Moderate to good yields were attained for a variety of propiophenones and acetophenones by using tetra-n-butylammonium iodide (TBAI) as the catalyst and tert-butyl hydroperoxide (TBHP) as the oxidant under ambient reaction conditions.
    通过使用末端芳基烯烃作为芳基羧基替代物,开发了一种用于酮的 α-苯甲氧基化的无金属方案。在环境反应条件下,通过使用四正丁基碘化铵 (TBAI) 作为催化剂和叔丁基过氧化氢 (TBHP) 作为氧化剂,各种苯丙酮和苯乙酮获得了中等至良好的产率。
  • 1,2-Dibromoethane and KI mediated α-acyloxylation of ketones with carboxylic acids
    作者:Xujie Wang、Gangsheng Li、Yanan Yang、Jianshuang Jiang、Ziming Feng、Peicheng Zhang
    DOI:10.1016/j.cclet.2019.08.052
    日期:2020.3
    Abstract The 1,2-dibromoethane- and KI-mediated α-acyloxylation of ketones is reported in moderate to good yield without the use of transition metals and strong oxidants. Various acids are well tolerated with wide functional group compatibility. An 1,2-dibromoethane- and KI-catalysed reaction mechanism is proposed based on the results of control experiments.
    摘要据报道,在不使用过渡金属和强氧化剂的情况下,酮的1,2-二溴乙烷和KI介导的α-酰氧基化反应具有中等至良好的收率。各种酸均具有良好的耐受性,并具有广泛的官能团相容性。根据控制实验结果,提出了1,2-二溴乙烷和KI催化的反应机理。
  • In Situ Generated (Hypo)Iodite Catalysts for the Direct α-Oxyacylation of Carbonyl Compounds with Carboxylic Acids
    作者:Muhammet Uyanik、Daisuke Suzuki、Takeshi Yasui、Kazuaki Ishihara
    DOI:10.1002/anie.201101522
    日期:2011.5.27
    It′s the iodine: The intra‐ and intermolecular title reaction is catalyzed by an in situ generated ammonium (hypo)iodite species. Either H2O2 or tert‐butyl hydroperoxide (TBHP) can be used as an environmentally benign oxidant and a wide range of substrates react to give the corresponding α‐acyloxycarbonyl compounds in good to excellent yields.
    它是碘:分子内和分子间标题反应是由原位生成的亚碘铵(次同)催化的。H 2 O 2或叔丁基氢过氧化物(TBHP)都可以用作环境友好的氧化剂,并且多种底物反应生成相应的α-酰氧基羰基化合物,收率良好至优异。
  • Copper-catalyzed α-C–H acyloxylation of carbonyl compounds with terminal alkynes
    作者:Jiao Li、Zan Yang、Tao Yang、Jianmin Yi、Congshan Zhou
    DOI:10.1039/c7nj03989a
    日期:——
    Herein, a copper/TBHP catalyst system for the α-C–H acyloxylation of carbonyl compounds is developed using terminal alkynes as the acyloxy source. A variety of carbonyl compounds and terminal alkynes are tolerated in this reaction. In addition, its possible mechanism is proposed.
    在此,使用末端炔烃作为酰氧基源,开发了用于羰基化合物的α-C-H酰氧基化的铜/ TBHP催化剂体系。在该反应中可以耐受多种羰基化合物和末端炔烃。另外,提出了其可能的机制。
  • One-pot synthesis of α-acyloxycarbonyl compounds via oxidative decarboxylation coupling reaction of α-oxo carboxylic acids with carbonyl compounds
    作者:Li-Ming Chang、Gao-Qing Yuan
    DOI:10.1016/j.tet.2016.09.031
    日期:2016.11
    With tetrabutylammonium iodide (TBAI) as the catalyst and tert-butyl hydroperoxide (TBHP) as the oxidant, a simple metal-free protocol has been developed for the synthesis of α-acyloxycarbonyl compounds from carbonyl compounds and α-oxo carboxylic acids via decarboxylative coupling reaction. The target products could be obtained in moderate to high yields.
    以碘化四丁基铵(TBAI)为催化剂,叔丁基过氧化氢(TBHP)为氧化剂,已开发出一种简单的无金属方案,用于通过脱羧偶联从羰基化合物和α-氧代羧酸合成α-酰氧羰基化合物反应。可以以中等至高收率获得目标产物。
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