octadecyl 4-nitrobenzoate | 56426-96-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: octadecyl 4-nitrobenzoate
• CAS: 56426-96-1
• 化学式: C₂₅H₄₁NO₄
• 分子量: 419.605
• InChiKey: TYELDTDLXFVFGB-UHFFFAOYSA-N

物化性质

• 熔点：
  64.3 °C
• 沸点：
  522.5±33.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  30
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 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：

  octadecyl 4-nitrobenzoate 在 calcium chloride 、 锌 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Matsunaga, Y.; Sakamoto S.; Togashi, A., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1994, vol. 250, p. 161 - 166

  摘要：

  DOI：
• 作为产物：
  描述：

  硬脂醇 、 对硝基苯甲酸乙酯 在 iron(III)-acetylacetonate 、 sodium carbonate 作用下， 以 正庚烷 为溶剂， 反应 5.0h， 以98%的产率得到octadecyl 4-nitrobenzoate
  参考文献：
  名称：

  Transesterification catalyzed by iron(III) β-diketonate species

  摘要：

  A practical and clean protocol for transesterification catalyzed by a 5 mol % cheap, non-toxic and moisture stable Fe(acac)(3) or other iron(III) beta-diketonate species in solvent, such as heptane under azeotropic condition is developed. A remarkable rate enhancement was observed upon the addition of 5 mol % of an inorganic base, such as Na2CO3, which suggests that faster formation of a dimeric mu-alkoxy-bridged iron (III) species under alkaline conditions facilitates catalytic turnover. This system provides smooth transesterification over a wide range of structurally diverse esters and alcohols without disturbing functional groups. In addition, the use of iron beta-diketonate complexes as catalysts is more environmentally friendly, safer, and economical than other transition-metal catalysts. Preliminary mechanistic studies indicate that the active catalyst is likely a dimeric mu-alkoxy-bridged iron(III) species, as determined by X-ray crystallography of [Fe(dbm)(2)(O-n-Bu)](2) derived from the alcoholysis of Fe(dbm)(3) under alkaline conditions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.009

文献信息

• N‐Heterocyclic Carbene Catalyzed Ester Synthesis from Organic Halides through Incorporation of Oxygen Atoms from Air
  作者：Hui Tan、Shen‐An Wang、Zixi Yan、Jianzhong Liu、Jialiang Wei、Song Song、Ning Jiao

  DOI：10.1002/anie.202011039

  日期：2021.1.25

  Oxygenation reactions with molecular oxygen (O2) as the oxygen source provides a green and straightforward strategy for the construction of O‐containing compounds. Demonstrated here is a novel N‐heterocyclic carbene (NHC) catalyzed oxidative transformation of simple and readily available organic halides into valuable esters through the incorporation of O‐atoms from O2. Mechanistic studies prove that

  以分子氧（O 2）为氧源的加氧反应为构建含O化合物提供了绿色而直接的策略。这里展示的是一种新颖的N杂环卡宾（NHC）通过将O 2中的O原子并入，将简单易用的有机卤化物催化氧化转化为有价值的酯的方法。机理研究证明，原位产生的脱氧Breslow中间体被氧化为Breslow中间体，通过该氧化方案进一步转化。该方法拓宽了NHC催化领域，并促进了与O 2的氧化反应。
• ELECTRET WEBS WITH CHARGE-ENHANCING ADDITIVES
  申请人：Sebastian John M.

  公开号：US20110041471A1

  公开（公告）日：2011-02-24

  Electret webs are presented which include a blend of a thermoplastic resin and a charge additive. The charge additives include ester-substituted and amide-substituted trianilino triazine materials. The webs prepared from the blends may be in the form of films or non-woven fibrous webs. Non-woven microfiber webs are useful as filtration media.

  提供了一种包括热塑性树脂和电荷添加剂混合物的静电纤维网络。电荷添加剂包括酯基和酰胺基三苯基三嗪材料。从混合物制备的纤维网络可以是薄膜或非织造纤维网络形式。非织造微纤维网络可用作过滤介质。
• Electret webs with charge-enhancing additives
  申请人：Sebastian John M.

  公开号：US08529671B2

  公开（公告）日：2013-09-10

  Electret webs are presented which include a blend of a thermoplastic resin and a charge additive. The charge additives include ester-substituted and amide-substituted trianilino triazine materials. The webs prepared from the blends may be in the form of films or non-woven fibrous webs. Non-woven microfiber webs are useful as filtration media.

  提供一种包含热塑性树脂和电荷添加剂混合物的静电纤维网。电荷添加剂包括酯基和酰胺基三苯基三嗪材料。从混合物制备的纤维网可以是薄膜或非织造纤维网的形式。非织造微纤维网可用作过滤介质。
• DE740246
  申请人：——

  公开号：——

  公开（公告）日：——
• Nucleophilic Acyl Substitutions of Esters with Protic Nucleophiles Mediated by Amphoteric, Oxotitanium, and Vanadyl Species
  作者：Chien-Tien Chen、Jen-Huang Kuo、Cheng-Hsiu Ku、Shiue-Shien Weng、Cheng-Yuan Liu

  DOI：10.1021/jo0484878

  日期：2005.2.1

  [GRAPHICS]A diverse array of oxometallic species were examined as catalysts in nucleophilic acyl substitution (NAS) reactions of methyl (or ethyl) esters with protic nucleophiles. Among them, oxotitanium acetylacetonate (TiO(acac)(2)) and vanadyl chloride (VOCl2-(THF)(x)) served as the most efficient and water-tolerant catalysts. Transesterifications of methyl and/or ethyl esters with functionalized (including acid- or base-sensitive) 1degrees and 2degrees alcohols can be carried out chemoselectively in refluxed toluene or xylene in a 1:1 substrate stoichiometry using 1 mol % catalyst loading. The resultant products were furnished in 85-100% yields by simple aqueous workup to remove water-soluble catalysts. The new NAS protocol is also amenable to amines and thiols in 74-91% yields, albeit with higher loading (2.5 equiv) of protic nucleophiles. Representative examples of commercial interests such as Padimate 0 and antioxidant additives for plastics were also examined to demonstrate their practical applications. A 1:1 adduct between TiO(acac)2 and a given 1-octadecanol was identified as (C18H37O)(2)Ti(acac)(2) and was responsible for its subsequent NAS of methyl esters.