ethyl 2,5-dimethoxy benzoate | 81722-06-7

• 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: ethyl 2,5-dimethoxy benzoate
• 英文别名: Ethyl 2,5-dimethoxybenzoate；2,5-dimethoxy-benzoic acid ethyl ester；2,5-Dimethoxy-benzoesaeure-aethylester；Dimethylaethergentisinsaeure-aethylester；2,5-Dimethoxybenzoic acid ethyl ester
• CAS: 81722-06-7
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: QZWFBVKXIYFBCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  276-280 °C
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-二甲氧基苯乙酮 、 ethyl 2,5-dimethoxy benzoate 在 sodium hydride 作用下， 以 苯 为溶剂， 反应 2.0h， 以45%的产率得到1,3-di-(2,5-dimethoxyphenyl)-1,3-propanedione
  参考文献：
  名称：

  Synthesis of Dibenzoylmethane Derivaives and Inhibition of Mutagenicity in Salmonella typhimurium.

  摘要：

  合成了20种二苯甲酰甲烷，它们在一个或两个苯环上分别带有甲基、甲氧基、溴、氯或氟取代基，并测定了它们对S. typhimurium TA98株2-硝基芴致突变性的抑制作用。2,2-二甲氧基、3,3-二甲氧基和3,3,4,4-四甲氧基二苯甲酰甲烷与二苯甲酰甲烷同样有效。所有含卤素取代的二苯甲酰甲烷均无效。这些结果表明二苯甲酰甲烷能抑制2-硝基芴的致突变性，在二苯甲酰甲烷的苯环上作修饰并不能增强其母体化合物的抗致突变性。

  DOI：

  10.1248/cpb.40.1047
• 作为产物：
  描述：

  2,5-二甲氧基苯甲酰胺 在 盐酸 、 氢氧化钾 作用下， 生成 ethyl 2,5-dimethoxy benzoate
  参考文献：
  名称：

  Kauffmann; Grombach, Justus Liebigs Annalen der Chemie, 1906, vol. 344, p. 46

  摘要：

  DOI：

文献信息

• Noncovalent Interactions in Ir-Catalyzed C–H Activation: L-Shaped Ligand for Para-Selective Borylation of Aromatic Esters
  作者：Md Emdadul Hoque、Ranjana Bisht、Chabush Haldar、Buddhadeb Chattopadhyay

  DOI：10.1021/jacs.7b04490

  日期：2017.6.14

  An efficient strategy for the para-selective borylation of aromatic esters is described. For achieving high para-selectivity, a new catalytic system has been developed modifying the core structure of the bipyridine. It has been proposed that the L-shaped ligand is essential to recognize the functionality of the oxygen atom of the ester carbonyl group via noncovalent interaction, which provides an unprecedented

  描述了一种用于芳族酯的对位选择性硼化的有效策略。为了获得高的对位选择性，已经开发了一种新的催化体系，该体系改变了联吡啶的核心结构。有人提出，L型配体对于通过非共价相互作用识别酯羰基的氧原子的功能至关重要，这为超选择性C–H活化/硼化提供了空前的控制因素。
• Facile preparation of aromatic esters from aromatic bromides with ethyl formate or DMF and molecular iodine via aryllithium
  作者：Sousuke Ushijima、Katsuhiko Moriyama、Hideo Togo

  DOI：10.1016/j.tet.2012.04.016

  日期：2012.6

  Various aromatic bromides were treated with n-BuLi and subsequently with ethyl formate, followed by the reaction with ethanol and molecular iodine in the presence of K2CO3 to provide the corresponding aromatic ethyl esters in good yields. Moreover, aromatic bromides could be transformed into the corresponding aromatic methyl esters in good yields by the treatment with n-BuLi and subsequently with DMF

  各种芳族溴化物先用n- BuLi处理，然后再用甲酸乙酯处理，然后在K 2 CO 3存在下与乙醇和分子碘反应，以高收率提供相应的芳族乙基酯。此外，通过用n- BuLi和随后用DMF处理，然后与甲醇，分子碘和K 2 CO 3反应，可以将芳族溴化物以良好的产率转化成相应的芳族甲基酯。通过用n处理，一些芳族化合物也可以高收率转化为相应的芳族酯。-BuLi，然后与甲酸乙酯或DMF进行反应，然后与分子碘和K 2 CO 3反应。本反应为无过渡金属，无一氧化碳的因此为芳族溴化物和芳族化合物到芳族酯的环境友好的一锅转化提供了新颖的途径。
• Synthesis of Phthalates, Benzoates, and Phthalides via the<i>in situ</i>Generation of Methoxycyclohexa-1,3-dienes and their Subsequent Diels-Alder Reactions with Acetylenes
  作者：Philip A. Harland、Philip Hodge

  DOI：10.1055/s-1982-29756

  日期：——
• Nueva ecto-5′-fosfodiesterasa/nucleótido-pirofosfatasa asociada a la membrana plasmática de células AS-30D de hepatocarcinoma de rata
  作者：R. M. Garcia-Nieto、E. San Jose、J. Martín-Nieto、A. Villalobo

  DOI：10.1007/bf03179811

  日期：2001.3

  We have identified in plasma membrane fractions isolated from rat hepatocarcinoma AS-30D ascites cells three glycoproteins of 125 kDa, 115 kDa and 105 kDa (gp125, gp115 and gp105) which become adenylylated using ATP as substrate, most readily in the presence of EDTA. The gp115 becomes also phosphorylated. The adenylylation of these tumor glycoproteins was much lower than that of a group of analogous adenylylatable glycoproteins (gp130, gp120-gp110 dimer and gp100) present in normal rat liver plasma membrane. The tumor glycoproteins were reversibly O-adenylylated at threonine residues, as was the case for their normal rat liver counterparts. The tumor gp115, and the gp120-gp110 dimer from normal rat liver were both isolated using either ATP-affinity chromatography and/or AMP-affinity chromatography. The gp120-gp110 dimer from normal rat liver was identified as the plasma cell differentiation antigen-1 (PC-1 protein), an ecto-5' phosphodiesterase/nucleotide-pyrophosphatase (5'-PDE/NPPase). The gp115 from tumor cells also exhibited Zn2+-stimulated 5'-PDE and NPPase activities in alkaline conditions, although it appears to be distinct from the PC-1 protein. We have determined that the gp115 is an ecto-enzyme that catalyzes the hydrolysis of extracellular ATP, since its adenylylation and phosphorylation were detected in intact cells using extracellularly added [alpha-P-32]ATP or [gamma-P-32]ATP, respectively, in the absence of any permeabilizing agent.
• HARLAND, P. A.;HODGE, P., SYNTHESIS, BRD, 1982, N 3, 223-225
  作者：HARLAND, P. A.、HODGE, P.

  DOI：——

  日期：——