methyl 2-(2-methoxy-2-oxoethoxy)benzoate | 56424-76-1

• 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: methyl 2-(2-methoxy-2-oxoethoxy)benzoate
• CAS: 56424-76-1
• 化学式: C₁₁H₁₂O₅
• mdl: MFCD00854057
• 分子量: 224.213
• InChiKey: VSDKPBZNYNNGHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-(2-methoxy-2-oxoethoxy)benzoate 在 sodium hydroxide 、 水 、 sodium acetate 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 4.0h， 生成 3-乙酰氧基苯并[b]呋喃
  参考文献：
  名称：

  Carvalho, Christopher F.; Sargent, Melvyn V., Journal of the Chemical Society. Perkin transactions I, 1984, # 7, p. 1605 - 1612

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲酰苯氧乙酸 在 四磷十氧化物 、 alkaline permanganate 、 copper(II) sulfate 、 sodium sulfate 作用下， 反应 4.0h， 生成 methyl 2-(2-methoxy-2-oxoethoxy)benzoate
  参考文献：
  名称：

  Banerjee, Amalendu; Adak, Mohini Mohan; Das, Sankar, Journal of the Indian Chemical Society, 1987, vol. 64, # 1, p. 34 - 37

  摘要：

  DOI：

文献信息

• Application of Magnesium Alkoxides to Syntheses of Benzoheterocyclic Compounds
  作者：Jiří Svoboda、Miloslav Nič、Jaroslav Paleček

  DOI：10.1135/cccc19930592

  日期：——

  The Dieckmann condensation of methyl [(2-methoxycarbonyl)phenyl]-X-acetates Ia-Ih (X = O, S, SO₂, NH, NCH₃) initiated by action of magnesium methoxide, ethoxide, isopropoxide and other basic reagents have been studied under various conditions. Whereas magnesium methoxide has comparable efficiency as sodium methoxide and potassium tert-butoxide in syntheses of benzoheterocyclic compounds IIa-IIh, magnesium ethoxide gives the ethyl ester IIb in medium yield, and magnesium isopropoxide is quite inefficient in the condensation reaction. The alkylation of the esters IIa, IId, and IIg with methyl chloroacetate in the presence of sodium hydride in dimethylformamide gives the diesters IIi - IIk which on action by potassium tert-butoxide undergo the cyclization reaction to give esters III.

  甲基[(2-甲氧羰基)苯基]-X-乙酸酯（X = O，S，SO₂，NH，NCH₃）在镁甲氧基、乙氧基、异丙氧基和其他碱性试剂的作用下进行的Dieckmann缩合反应在各种条件下进行了研究。镁甲氧基在合成苯杂环化合物方面具有与甲基钠和叔丁基钾相当的效率，而镁乙氧基以中等产率给出乙酸乙酯，镁异丙氧基在缩合反应中效率较低。在二甲基甲酰胺中，酯与氯乙酸甲酯在氢化钠存在下发生烷基化反应，得到二酯，经叔丁基钾作用发生环化反应，生成酯。
• Functionalized drugs and polymers derived therefrom
  申请人：Bezwada S. Rao

  公开号：US20060172983A1

  公开（公告）日：2006-08-03

  Compounds selected from: where DRUG-OH, DRUG-COOH and DRUG-NH 2 are biologically active compounds; each X is independently selected from —CH 2 COO— (glycolic acid moiety), —CH(CH 3 )COO— (lactic acid moiety), —CH 2 CH 2 OCH 2 COO— (dioxanone moiety), —CH 2 CH 2 CH 2 CH 2 CH 2 COO— (caprolactone moiety), —(CH 2 ) y COO—, where y is 2-4 or 6-24 and —(CH 2 CH 2 O) z CH 2 COO—, where z is 2-24; each Y is independently selected from —COCH 2 O— (glycolic ester moiety), —COCH(CH 3 )O— (lactic ester moiety), —COCH 2 OCH 2 CH 2 O— (dioxanone ester moiety), —COCH 2 CH 2 CH 2 CH 2 CH 2 O— (caprolactone ester moiety), —CO(CH 2 ) m O—, where m is 2-4 or 6-24 and —COCH 2 O(CH 2 CH 2 O) n — where n is between 2-24; R′ is hydrogen, benzyl or an alkyl group, the alkyl group being either straight-chained or branched; and p is 1-6. Multi-functional compounds and drug dimers, oligomers and polymers are also disclosed.

  从中选择的化合物：其中DRUG-OH，DRUG-COOH和DRUG-NH2是生物活性化合物；每个X独立地从—CH2COO—（乙二酸基团），—CH(CH3)COO—（乳酸基团），—CH2CH2OCH2COO—（二氧杂环己酮基团），—CH2CH2CH2CH2CH2COO—（己内酯基团），—(CH2)yCOO—中选择，其中y为2-4或6-24和—(CH2CH2O)zCH2COO—，其中z为2-24；每个Y独立地从—COCH2O—（乙二酸酯基团），—COCH(CH3)O—（乳酸酯基团），—COCH2OCH2CH2O—（二氧杂环己酮酯基团），—COCH2CH2CH2CH2CH2O—（己内酯酯基团），—CO(CH2)mO—，其中m为2-4或6-24和—COCH2O(CH2CH2O)n—，其中n为2-24；R′为氢，苄基或烷基，烷基可以是直链或支链；p为1-6。还披露了多功能化合物和药物二聚体、寡聚体和聚合物。
• FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM
  申请人：Bezwada Rao S.

  公开号：US20090170927A1

  公开（公告）日：2009-07-02

  The present invention relates to compounds of formula I, which are functionalized phenolic compounds, and polymers formed from the same. Ar—[O—(X) p —R′] q I Polymers formed from the functionalized phenolics are expected to have controllable degradation profiles, enabling them to release an active component over a desired time range. The polymers are also expected to be useful in a variety of medical applications.

  本发明涉及公式I的化合物，这些化合物是官能化酚类化合物，以及由它们形成的聚合物。从官能化酚类化合物形成的聚合物预计具有可控的降解特性，使它们能够在所需的时间范围内释放活性成分。这些聚合物还预计在各种医疗应用中有用。
• Novel benzofuran derivatives with dual 5-HT1A receptor and serotonin transporter affinity
  作者：Aranapakam M. Venkatesan、O. Dos Santos、John Ellingboe、Deborah A. Evrard、Boyd L. Harrison、Deborah L. Smith、Rosemary Scerni、Geoffrey A. Hornby、Lee E. Schechter、Terrence H. Andree

  DOI：10.1016/j.bmcl.2009.12.093

  日期：2010.2

  Several benzofuran derivatives linked to a 3-indoletetrahydropyridine through an alkyl chain were prepared and evaluated for serotonin transporter and 5-HT1A receptor affinities. Their design, synthesis and structure–activity relationships are described.

  制备了几种通过烷基链与3-吲哚四氢吡啶连接的苯并呋喃衍生物，并评估了其血清素转运蛋白和5-HT 1A受体的亲和力。描述了它们的设计，合成和结构-活性关系。
• Microwave-Assisted Synthesis of Benzofuran-3(2H)-ones
  作者：Xiaojing Hu、Huimin Lai、Fangfei Zhao、Shuyu Hu、Qianqian Sun、Lizhen Fang

  DOI：10.17344/acsi.2019.5104

  日期：——

  A new method for synthesis of benzofuran-3(2H)-one under microwave condition was investigated. The reaction conditon was screened and the eligible scope of benzoate substrates was also examined. It showed that this method could provide a short and facile way to obtain these important dihydrobenzofuranones in yield 43% to 58%.

  研究了微波条件下合成苯并呋喃-3（2H）-一的新方法。筛选反应条件，并检查苯甲酸酯底物的合格范围。结果表明，该方法可以简便快捷地获得这些重要的二氢苯并呋喃酮，收率为43％至58％。