2-O-(ethoxycarbonylmethyl)benzoic acid | 108807-15-4

• 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: 2-O-(ethoxycarbonylmethyl)benzoic acid
• 英文别名: 2-(2-ethoxy-2-oxoethoxy)benzoic acid；ethyl 2-carboxyphenoxyacetate
• CAS: 108807-15-4
• 化学式: C₁₁H₁₂O₅
• mdl: MFCD05996019
• 分子量: 224.213
• InChiKey: XZDPPXQRJVSKTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 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：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-O-(ethoxycarbonylmethyl)benzoic acid 在 草酰氯 、 氨 作用下， 生成 环戊二烯并[b]吡咯-1(2H)-胺,六氢-2-(甲氧基甲基)-,(2S,3aS,6aS)-(9CI)
  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：
• 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 2-O-(ethoxycarbonylmethyl)benzoic acid
  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

• [EN] PROCESS FOR PREPARING (E)-(5,6-DIHYDRO-1,4,2-DIOXAZINE-3-YL) (2-HYDROXYPHENYL) METHANONE O-METHYL OXIME<br/>[FR] PROCÉDÉ DE PRÉPARATION DE O-MÉTHYL OXIME DE (E)-(5,6-DIHYDRO-1,4,2-DIOXAZIN-3-YL) (2-HYDROXYPHÉNYL)MÉTHANONE
  申请人：ARYSTA LIFESCIENCE CORP

  公开号：WO2016193822A1

  公开（公告）日：2016-12-08

  A process for preparing (E)-(5,6-dihydro-l,4,2-dioxazin-3-yl)(2- hydroxyphenyl)methanone O-methyl oxime is described which includes: (i) reacting benzofuran-3(2H)-one O-methyl oxime (1) with at least one nitrite selected from n-butyl nitrite and tert-butyl nitrite, in the presence of a metal alkoxide to form (2Z,32)-2,3-benzofuran-dione O3-methyl dioxime (2) as the predominant isomer; (ii) reacting the (2Z,3Z)-2,3-benzofuran-dione O -methyl dioxime (2) with 2- haloethanol to form (2Z,3Z)-benzofuran-2,3-dione 02-(2-hydroxyethyl) O3 -methyl dioxime (3); and (iii) reacting the (2Z,3Z)-benzofuran-2,3-dione 02-(2-hydroxyethyl) & -methyl dioxime (3) with an acid to form (E)-(5,6-dihydro-l,4,2-dioxazin-3-yl)(2- hydroxyphenyl)methanone (9-methyl oxime (4);

  描述了一种制备(E)-(5,6-二氢-1,4,2-二噁嗪-3-基)(2-羟基苯基)甲酮O-甲基肟的方法，包括：(i)将苯并呋喃-3(2H)-酮O-甲基肟(1)与n-丁基亚硝酸酯和叔丁基亚硝酸酯中至少一种进行反应，在金属烷氧化物存在下形成(2Z,3Z)-2,3-苯并呋喃二酮O-3-甲基二肟(2)作为主要异构体；(ii)将(2Z,3Z)-2,3-苯并呋喃二酮O-甲基二肟(2)与2-卤乙醇反应，形成(2Z,3Z)-苯并呋喃-2,3-二酮O2-(2-羟乙基)O3-甲基二肟(3)；(iii)将(2Z,3Z)-苯并呋喃-2,3-二酮O2-(2-羟乙基)O-甲基二肟(3)与酸反应，形成(E)-(5,6-二氢-1,4,2-二噁嗪-3-基)(2-羟基苯基)甲酮O-甲基肟(4)。
• Process for preparing (E)-(5,6-dihydro-1,4,2-dioxazin-3-yl)(2-hydroxyphenyl)methanone O-methyl oxime
  申请人：Arysta LifeScience Corporation

  公开号：US10087152B2

  公开（公告）日：2018-10-02

  A process for preparing (E)-(5,6-dihydro-1,4,2-dioxazin-3-yl)(2-hydroxyphenyl)methanone O-methyl oxime is described which includes: (i) reacting benzofuran-3(2H)-one O-methyl oxime (1) with at least one nitrite selected from n-butyl nitrite and tert-butyl nitrite, in the presence of a metal alkoxide to form (2Z,32)-2,3-benzofuran-dione O3-methyl dioxime (2) as the predominant isomer; (ii) reacting the (2Z,3Z)-2,3-benzofuran-dione O-methyl dioxime (2) with 2-haloethanol to form (2Z,3Z)-benzofuran-2,3-dione 02-(2-hydroxyethyl) O3-methyl dioxime (3); and (iii) reacting the (2Z,3Z)-benzofuran-2,3-dione 02-(2-hydroxyethyl) & -methyl dioxime (3) with an acid to form (E)-(5,6-dihydro-1,4,2-dioxazin-3-yl)(2-hydroxyphenyl)methanone (9-methyl oxime (4);

  本发明描述了制备(E)-(5,6-二氢-1,4,2-二恶嗪-3-基)(2-羟基苯基)甲酮 O-甲基肟的工艺，该工艺包括：(i) 在金属氧化物存在下，使苯并呋喃-3(2H)-酮 O-甲基肟 (1) 与至少一种选自亚硝酸正丁酯和亚硝酸叔丁酯的亚硝酸盐反应，生成作为主要异构体的 (2Z,32)-2,3-苯并呋喃二酮 O3-甲基二氧肟 (2)；(ii) 使(2Z,3Z)-2,3-苯并呋喃二酮 O3-甲基二恶肟(2)与 2-卤乙醇反应，生成 (2Z,3Z)-苯并呋喃-2,3-二酮 02-(2-羟乙基) O3-甲基二恶肟(3)(iii) 使(2Z,3Z)-苯并呋喃-2,3-二酮 02-(2-羟乙基) O3-甲基二恶肟(3)与酸反应生成(E)-(5,6-二氢-1,4,2-二恶嗪-3-基)(2-羟基苯基)甲酮(9-甲基肟(4)；
• DBU-mediated regioselective intramolecular cyclization/dehydration of ortho diketo phenoxyethers: a synthesis of 2,3-substituted γ-benzopyranones
  作者：Sofia Bensulong、Jutatip Boonsombat、Somsak Ruchirawat

  DOI：10.1016/j.tet.2013.07.104

  日期：2013.11

  The regioselective cyclization/dehydration sequence of ortho diketo phenoxyethers induced by DBU has been explored. The results demonstrated a high degree of selectivity with preference for 6-exo-trig cyclization leading to the formation of gamma-benzopyranone derivatives in good yield. (C) 2013 Elsevier Ltd. All rights reserved.
• An efficient chemoselective etherification of phenols in polyfunctional aromatic compounds
  作者：Jyoti Pandey、Mridul Mishra、Surendra Singh Bisht、Anindra Sharma、Rama P. Tripathi

  DOI：10.1016/j.tetlet.2007.11.129

  日期：2008.1

  A simple and efficient chemoselective alkylation of phenols in polyfunctional aromatic compounds with different alkyl halides in the presence of K2CO3/TBAB is reported. The method is successful with various hydroxy aromatic acids or oximes possessing other functional groups. (c) 2007 Elsevier Ltd. All rights reserved.
• BANERJEE, AMALENDU;ADAK, MOHINI MOHAN;DAS, SANKAR;BANERJEE, SANTA (MRS. )+, J. INDIAN CHEM. SOC., 64,(1987) N 1, 34-37
  作者：BANERJEE, AMALENDU、ADAK, MOHINI MOHAN、DAS, SANKAR、BANERJEE, SANTA (MRS. )+

  DOI：——

  日期：——