4-甲氧基苯甲酸庚酯 | 5452-08-4

• 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: 4-甲氧基苯甲酸庚酯
• 英文名称: n-heptyl 4-methoxybenzoate
• 英文别名: heptyl 4-methoxybenzoate；4-methoxy-benzoic acid heptyl ester；4-Methoxy-benzoesaeure-heptylester；n-Heptyl-4-methoxybenzoat；Benzoic acid, 4-methoxy-, heptyl ester
• CAS: 5452-08-4
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: OEYMSYGFUQPUKZ-UHFFFAOYSA-N

物化性质

• 保留指数：
  2010.4

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-甲氧基苯甲酸庚酯 、 丙烯酸甲酯（MA） 在 silver hexafluoroantimonate 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 copper(II) acetate monohydrate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 以68%的产率得到(E)-n-heptyl 4-methoxy-2-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate
  参考文献：
  名称：

  Oxidative Alkenylation of Aromatic Esters by Ruthenium-Catalyzed Twofold C–H Bond Cleavages

  摘要：

  Cationic ruthenium(II) complexes enabled catalytic twofold C-H bond functionalizations with weakly coordinating aromatic esters in a highly chemo-, site- and diastereo-selective as well as site selective fashion. The oxidative Fujiwara-Moritani-type alkenylation provided step-economical access to diversely substituted styrenes and proved viable in an aerobic manner. Mechanistic studies were indicative of a reversible acetate-assisted cycloruthenation step.

  DOI：

  10.1021/ol301759v
• 作为产物：
  描述：

  正庚醇 、 对甲氧基苯乙酮 在 copper(II) choride dihydrate 、 氧气 、 lithium bromide 作用下， 130.0 ℃ 、1.0 MPa 条件下， 反应 10.0h， 以74%的产率得到4-甲氧基苯甲酸庚酯
  参考文献：
  名称：

  通过C（CO）-C（烷基）键的需氧氧化裂解Cu（II）-催化的酯化反应

  摘要：

  已经开发了具有宽官能团耐受性的新型铜（II）催化的简单酮的需氧氧化酯化反应，用于合成酯。假定此过程是串联进行的...

  DOI：

  10.1039/c5cc09146b

文献信息

• Pd/C-Catalyzed Carbonylative Esterification of Aryl Halides with Alcohols by Using Oxiranes as CO Sources
  作者：Byul-Hana Min、Dong-Su Kim、Hyo-Soon Park、Chul-Ho Jun

  DOI：10.1002/chem.201600570

  日期：2016.4.25

  A carbonylative esterification reaction between aryl bromides and alcohols, promoted by Pd/C and NaF in the presence of oxiranes, has been developed. In this process, oxiranes serve as sources of carbon monoxide by their conversion to aldehydes through a palladium‐promoted Meinwald rearrangement pathway. Intramolecular versions of this process serve as methods for the synthesis of lactones and phthalimides

  在环氧乙烷的存在下，Pd / C和NaF促进了芳基溴化物与醇类之间的羰基化酯化反应。在此过程中，环氧乙烷通过钯促进的Meinwald重排途径转化为醛，从而成为一氧化碳的来源。该方法的分子内形式用作合成内酯和邻苯二甲酰亚胺的方法。
• Immobilised Candida antarctica B as efficient catalyst for the synthesis of local anaesthetic intermediates
  作者：Daniela Giunta、Maria Paola Masia、Mauro Marchetti、Raffaele Morrone、Maurizio Solinas

  DOI：10.1016/j.tetlet.2013.07.065

  日期：2013.9

  We hereby present the development of new reaction conditions for the CALB catalysed esterification of substituted benzoic acids. Using cyclohexane as the reaction media a number of heptyl benzoates have been easily isolated in good to excellent yields (up to 100% at 80 degrees C, 20-24 h). Moreover, the catalytic system has been successfully applied to the synthesis of local anaesthetics intermediates also showing good productivity in recycling experiments. (C) 2013 Elsevier Ltd. All rights reserved.
• Bannock russet: A dual-purpose, russet potato cultivar with high U. S. No. 1 yield and multiple disease resistances
  作者：R. G. Novy、D. L. Corsini、S. L. Love、J. J. Pavek、A. R. Mosley、S. R. James、D. C. Hane、C. C. Shock、K. A. Rykbost、C. R. Brown、R. E. Thornton

  DOI：10.1007/bf02881524

  日期：2002.3

  Bannock Russet, a late-maturing, long russet potato cultivar, was released in 1999 by the USDA-ARS and the experiment stations of Idaho, Oregon, and Washington. It is suitable for processing into french fries and other frozen products. Its attractive russeted skin and excellent culinary qualities also make it suitable for fresh market. Bannock Russet, in comparisons with Russet Burbank, has consistently produced greater U.S. No. 1 yields in trials conducted throughout southern Idaho. In other western trial sites, total yields of Bannock Russet have been comparable to or smaller than that of Russet Burbank, but its percentage of undersize and cull potatoes is consistently less. Bannock Russet is resistant to potato virus Y (PVY), Verticillium wilt, common scab, and leafroll net necrosis. It also has moderate resistance to early blight (foliar and tuber) and Erwinia soft rot. With respect to other potato diseases/disorders, Bannock Russet's level of susceptibility is similar to that of Russet Burbank; the exception being shatter bruise, with Bannock Russet displaying a greater susceptibility. Cultural management guidelines have been developed to minimize shatter bruise in Bannock Russet. Bannock Russet's multiple disease resistances coupled with its low nitrogen requirement, make it a low-input cultivar that could significantly reduce growers' production costs.
• ZHANG, JINGWEN;XU, ZHILUO;HUANG, HUAMIN;CENG, WEI, ACTA SCI. NATUR. UNIV. JILINENSIS,(1988) N 1, 112-114
  作者：ZHANG, JINGWEN、XU, ZHILUO、HUANG, HUAMIN、CENG, WEI

  DOI：——

  日期：——
• Cu(<scp>ii</scp>)-catalyzed esterification reaction via aerobic oxidative cleavage of C(CO)–C(alkyl) bonds
  作者：Ran Ma、Liang-Nian He、An-Hua Liu、Qing-Wen Song

  DOI：10.1039/c5cc09146b

  日期：——

  Novel Cu(II)-catalyzed aerobic oxidative esterification of simple ketones for the synthesis of esters has been developed with wide functional group tolerance. This process is assumed to go through a tandem...

  已经开发了具有宽官能团耐受性的新型铜（II）催化的简单酮的需氧氧化酯化反应，用于合成酯。假定此过程是串联进行的...

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