[4-(甲氧羰基)苯基]甲基甲基对苯二甲酸酯 | 55334-51-5

• 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-(甲氧羰基)苯基]甲基甲基对苯二甲酸酯
• 英文名称: 1-[4-(methoxycarbonyl)phenyl]methyl 4-methyl benzene-1,4-dicarboxylate
• 英文别名: 4-(methoxycarbonyl)benzyl methyl terephthalate；Methyl [4-(methoxycarbonyl)phenyl]methyl terephthalate；4-O-[(4-methoxycarbonylphenyl)methyl] 1-O-methyl benzene-1,4-dicarboxylate
• CAS: 55334-51-5
• 化学式: C₁₈H₁₆O₆
• 分子量: 328.321
• InChiKey: ITTJRGPCQAAFGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对甲酰基苯甲酸甲酯 在 C₃₁H₄₉ErN₂OSSi 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以95%的产率得到[4-(甲氧羰基)苯基]甲基甲基对苯二甲酸酯
  参考文献：
  名称：

  N,N,C和N,N,O三齿β-二酮亚氨基稀土金属烷基配合物的合成与表征及其对醛或末端炔烃二聚反应的催化性能

  摘要：

  三个含有噻吩或四氢呋喃杂环基团的 β-二酮亚氨基前配体 H 2 L 1、H 2 L 2和 H L 3 (MeC(NDipp)CHC( Me )N(CH 2 ) n -2-(HCG), HCG = C 4 H 2 S, n = 2, L 1 ; n = 1, L 2 ; HCG = C 4 H 7 O, n = 1, L 3 ; Dipp = 2,6- i Pr 2 C 6 H 3）， 已经开发了。不寻常的N , N , C三齿 β-二酮亚氨基稀土金属单烷基配合物L 1 RE(CH 2 SiMe 3 )(thf) (RE = Y ( 1a ), Er ( 1b ), Yb ( 1c ), Lu ( 1d ) , thf = 四氢呋喃) 和L 2 Yb(CH 2 SiMe 3 )(thf) ( 2c ) 通过 RE(CH 2 SiMe 3 ) 3 (thf) 2与 H 2 L 1和 H的反应出乎意料地实现2

  DOI：

  10.1021/acs.organomet.2c00081

文献信息

• Nickel-catalyzed Tishchenko reaction via hetero-nickelacycles by oxidative cyclization of aldehydes with nickel(0) complex
  作者：Sensuke Ogoshi、Yoichi Hoshimoto、Masato Ohashi

  DOI：10.1039/b926866a

  日期：——

  A Ni(0)-catalyzed Tishchenko reaction which can be applied to a variety of aliphatic aldehydes (1°, 2°, 3°) and aromatic aldehydes was developed. The reaction might proceed via a hetero-nickelacycle intermediate.

  开发了一种Ni(0)催化下的Tishchenko反应，该反应适用于多种脂肪醛（1°、2°、3°）和芳香醛。反应可能通过一个杂镍杂环中间体进行。
• Oxidant controlled Pd-catalysed selective oxidation of primary alcohols
  作者：Chao Liu、Shan Tang、Aiwen Lei

  DOI：10.1039/c2cc38086b

  日期：——

  catalysed selective oxidation of primary alcohols to aldehydes or esters was investigated. The electronic properties of the benzylic alcohols and the structure of the oxidant are both important factors in controlling the selectivity between aldehydes and esters. A covalent benzyl ligand derived from BnCl provides eta(3) coordination to the Pd centre. This covalent ligand is the key to the selective oxidative

  研究了氧化剂控制的钯催化的伯醇选择性氧化为醛或酯。苄醇的电子性质和氧化剂的结构都是控制醛和酯之间选择​​性的重要因素。衍生自BnCl的共价苄基配体向钯中心提供eta（3）配位。该共价配体是伯醇选择性氧化酯化的关键。
• Synthesis, Characterization, and Unique Catalytic Activities of a Fluorinated Nickel Enolate
  作者：Ryohei Doi、Kotaro Kikushima、Masato Ohashi、Sensuke Ogoshi

  DOI：10.1021/ja511730k

  日期：2015.3.11

  We have synthesized a new nickel enolate [(PhCOCF2)Ni(dcpe)][FB(C6F5)(3)] featuring fluorine atoms on the enolate moiety via B(C6F5)(3)-promoted C-F bond activation of alpha,alpha,alpha-trifluoroacetophenone. X-ray diffraction study of [(PhCOCF2)Ni(dcpe)][FB(C6F5)(3)] revealed that the complex had adopted an eta(3)-oxallyl coordination mode in the crystal lattice. The reaction of (BuNC)-Bu-t with [(PhCOCF2)Ni(dcpe)][FB(C6F5)(3)] resulted in the coordination of isocyanide to the nickel center to form a C-bound enolate complex. The reactions of [(PhCOCF2)Ni(dcpe)][FB(C6F5)(3)] with aldehydes gave insertion products quantitatively which were fully characterized by NMR spectroscopy. Furthermore, we established unique catalytic applications for [(PhCOCF2)Ni(dcpe)][FB(C6F5)(3)] toward a Tishchenko reaction, along with a highly selective crossed-esterification of alpha,alpha,alpha-trifluoroacetophenones with aldehydes.
• Productive Chloroarene C−Cl Bond Activation:  Palladium/Phosphine-Catalyzed Methods for Oxidation of Alcohols and Hydrodechlorination of Chloroarenes
  作者：Xiaohong Bei、Alfred Hagemeyer、Anthony Volpe、Robert Saxton、Howard Turner、Anil S. Guram

  DOI：10.1021/jo048715y

  日期：2004.12.1

  The palladium/phosphine-catalyzed productive chloroarene C-Cl bond activation provides general, efficient, and functional group friendly methods for the selective oxidation of alcohols and the hydrodechlorination of chloroarenes.

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