3-硝基乙酸苄酯 | 21388-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-硝基乙酸苄酯
• 英文名称: 3-nitrobenzyl acetate
• 英文别名: (m-nitrobenzyl)acetate；m-nitrobenzyl acetate；acetic acid-(3-nitro-benzyl ester)；Essigsaeure-(3-nitro-benzylester)；3-Nitro-α-acetoxy-toluol；(3-Nitro-benzyl)-acetat；(3-nitrophenyl)methyl acetate
• CAS: 21388-97-6
• 化学式: C₉H₉NO₄
• mdl: MFCD02752735
• 分子量: 195.175
• InChiKey: WNVPZUAAKWXDNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-硝基乙酸苄酯 在 tin(ll) chloride 作用下， 以 乙醇 、 水 为溶剂， 生成 2-(3-氨基苯基)乙酸甲酯
  参考文献：
  名称：

  [EN] HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION
  [FR] COMPOSES D'UREE HALOETHYLE ET LEUR UTILISATION EN VUE D'ATTENUER, D'INHIBER OU DE PREVENIR LA MIGRATION DE CELLULES CANCEREUSES

  摘要：

  本发明提供了如公式(I)所述的卤乙基脲化合物，并将其用作治疗剂，用于减轻、抑制或预防癌细胞迁移和癌细胞增殖。

  公开号：

  WO2004106291A1
• 作为产物：
  描述：

  3-硝基苯甲醇 在 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] 作用下， 反应 0.08h， 生成 3-硝基乙酸苄酯
  参考文献：
  名称：

  H3PW12O40@[bmim][FeCl4]: A green catalytic system for alkoxymethylation of alcohols and their one-pot interconversion to acetates and TMS-ethers

  摘要：

  12-Tungstophosphoric acid immobilized on [bmim][FeCl4] was found to be an efficient catalyst for chemoselective methoxymethylation and ethxoymethylation of alcohols and also one-pot conversion of MOM- or EOM-ethers to their corresponding acetates and TMS-ethers under thermal conditions and microwave irradiation. These procedures were simple, rapid and the corresponding products were obtained in high yields. The catalyst exhibited remarkable reactivity and was reusable.

  DOI：

  10.1007/bf03249085

文献信息

• Preparation, characterization and application of RHA/TiO2 nanocomposites in the acetylation of alcohols, phenols and amines
  作者：Mohadeseh Seddighi、Farhad Shirini、Omid Goli-Jolodar

  DOI：10.1016/j.crci.2016.03.004

  日期：2016.8

  husk ash, and identified using a variety of techniques. The obtained nanocomposite (RHA/TiO2) was used as a green and inexpensive catalyst for the promotion of the acetylation of alcohols, phenols and amines with Ac2O at room temperature under solvent free conditions. The procedure gave the products in excellent yields during all reaction times. Also this catalyst can be reused for several times without

  摘要 在这项工作中，通过嵌入稻壳灰制备锐钛矿相纳米二氧化钛，并使用多种技术进行鉴定。所获得的纳米复合材料（RHA/TiO2）被用作一种绿色且廉价的催化剂，用于在室温、无溶剂条件下促进醇类、酚类和胺类与 Ac2O 的乙酰化反应。该程序在所有反应时间内都以极好的收率得到产物。此外，这种催化剂可以重复使用多次而不会损失其催化活性。
• Ruthenium(III) chloride catalyzed acylation of alcohols, phenols, thiols, and amines
  作者：Surya Kanta De

  DOI：10.1016/j.tetlet.2004.02.071

  日期：2004.3

  Ruthenium(III) chloride catalyzes the acylation of a variety of phenols, alcohols, thiols, and amines under mild conditions. Some of the major advantages of this method are high yields, short reaction times, ease of operation, and compatibility with other protecting groups.

  氯化钌（III）在温和的条件下催化各种酚，醇，硫醇和胺的酰化反应。该方法的一些主要优点是产率高，反应时间短，易于操作以及与其他保护基的相容性。
• 4-Imidazol-1-yl-butane-1-sulfonic acid ionic liquid: Synthesis, structural analysis, physical properties and catalytic application as dual solvent-catalyst
  作者：Nader Ghaffari Khaligh、Taraneh Mihankhah、Mohd Rafie Johan、Joon Ching Juan

  DOI：10.1080/10426507.2018.1487426

  日期：2019.9.2

  Abstract 4-Imidazol-1-yl-butane-1-sulfonic acid (ImBu-SO3H) has been successfully synthetized and fully characterized by FT-IR and high-resolution NMR spectroscopy (1H, 13C). The “plausible” alternative structures of ImBu-SO3H were discussed on the basis of its NMR data. The ionic liquid showed interesting dual solvent-catalyst property, which was studied experimentally for the acetylation of a variety

  摘要 4-Imidazol-1-yl-butane-1-sulfonic acid (ImBu-SO3H) 已成功合成并通过 FT-IR 和高分辨率 NMR 光谱 (1H, 13C) 进行了充分表征。ImBu-SO3H 的“合理”替代结构在其 NMR 数据的基础上进行了讨论。离子液体显示出有趣的双溶剂-催化剂性质，实验研究了其乙酰化各种官能化的醇、酚、硫醇、胺和 α-生育酚 (α-CTP) 作为维生素 E 的最活性形式与乙酸酐并且在很短的反应时间内提供了良好的收率。ImBu-SO3H 通过产品萃取成功回收，随后 5 次运行的平均回收率为 82%。即使在连续五次运行后，回收的 ImBu-SO3H 的催化活性也几乎没有损失。图形概要
• Sol–gel derived LaFeO3/SiO2 nanocomposite: synthesis, characterization and its application as a new, green and recoverable heterogeneous catalyst for the efficient acetylation of amines, alcohols and phenols
  作者：Saeed Farhadi、Kosar Jahanara、Asma Sepahdar

  DOI：10.1007/s13738-013-0377-3

  日期：2014.8

  measurements and was used as a heterogeneous catalyst for the efficient acetylation of amines, alcohols and phenols to the corresponding acetates using acetic anhydride under solvent-free conditions. Among the various substrates, acetylation of amines was preceded rapidly, so that an amine group could be selectively acetylated in the presence of alcoholic or phenolic hydroxyl groups by the appropriate

  载LaFeO 3 /的SiO 2纳米复合材料是由从金属硝酸盐和原硅酸四乙酯（TEOS）的溶胶-凝胶法合成的二氧化硅2资源。该纳米复合产品通过XRD，FT-IR，SEM和表面积测量进行了表征，并用作非均相催化剂，用于在无溶剂条件下使用乙酸酐将胺，醇和酚类有效乙酰化为相应的乙酸酯。在各种不同的底物，胺的乙酰化迅速之前，使胺基团可以有选择地在醇或酚羟基基团的存在通过反应时间的合适的选择乙酰化。催化剂也可以重复使用几次而不会损失活性。此外，LaFeO 3 / SiO 2纳米复合材料的催化活性高于纯LaFeO 3的催化活性。纳米粒子。该方法产率高，清洁，成本有效，与具有其他官能团的底物相容并且非常适合于实际的有机合成。
• Polystyrene-bound electron-deficient tin(IV) porphyrin: A new, highly efficient, robust and reusable catalyst for acetylation of alcohols and phenols with acetic anhydride
  作者：Majid Moghadam、Shahram Tangestaninejad、Valiollah Mirkhani、Iraj Mohammadpoor-Baltork、Shadab Gharaati

  DOI：10.1016/j.crci.2011.06.001

  日期：2011.12

  tetrakis(p-aminophenyl)porphyrinatotin(IV) trifluoromethanesulfonate, [SnIV(TNH2PP)(OTf)2], supported on chloromethylated polystyrene was prepared and characterized by elemental analysis, FT IR and diffuse reflectance UV-Vis spectroscopic methods. This new heterogenized catalyst was used for acetylation of alcohols and phenols with acetic anhydride in short reaction times and high yields. The catalyst is of

  摘要 在目前的工作中，制备了氯甲基化聚苯乙烯负载的四（对氨基苯基）卟啉（IV）三氟甲磺酸盐 [SnIV(TNH2PP)(OTf)2]，并通过元素分析、FT IR 和漫反射紫外-可见光谱进行表征。方法。这种新的多相催化剂用于在短反应时间和高产率下用乙酸酐乙酰化醇和酚。该催化剂在乙酰化反应中具有较高的重复使用性和稳定性，多次回收后不损失其初始活性和催化剂浸出。