二乙基2-[(3-甲基苯基)氨基]丙二酸酯 | 17033-61-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 二乙基2-[(3-甲基苯基)氨基]丙二酸酯
• 英文名称: diethyl 3-methylphenylaminomalonate
• 英文别名: diethyl N-(3-methylphenyl)aminomalonate；diethyl 2-(3-tolylamino)malonate；2-m-Toluidino-malonsaeure-diaethylester；m-toluidino-malonic acid diethyl ester；m-Toluidino-malonsaeure-diaethylester；Diethyl 2-(3-methylanilino)propanedioate
• CAS: 17033-61-3
• 化学式: C₁₄H₁₉NO₄
• 分子量: 265.309
• InChiKey: UEFYOXRABYKYLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  二乙基2-[(3-甲基苯基)氨基]丙二酸酯 在 高氯酸四乙基铵 、 溴代丙二酸二乙酯 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 2.0h， 生成 5-Oxo-1-m-tolyl-pyrrolidine-2,2-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Casadei, Maria Antonietta; Gessner, Andreas; Inesi, Achille, Bulletin de la Societe Chimique de France, 1989, # 5, p. 650 - 656

  摘要：

  DOI：
• 作为产物：
  描述：

  溴代丙二酸二乙酯 、 3-甲基苯胺 生成 二乙基2-[(3-甲基苯基)氨基]丙二酸酯
  参考文献：
  名称：

  Market Solutions for Social Problems: Working-Class Housing in Nineteenth Century London

  摘要：

  This article shows how model dwellings companies were able to offer a solution to the 'housing problem' by profitably providing decent working-class accommodation in nineteenth-century London. Despite their success, a conjuncture of economic circumstances, ideological change, and public crowding-out led to the marginalization of model dwellings companies. This experiment to provide a market solution to a social problem represents a nineteenth-century form of ethical investment which has not been accommodated within the historiography of the development of the welfare state.

  DOI：

  10.1111/1468-0289.00202

文献信息

• Phosphorylation of aminomalonates
  作者：A. V. Egorova、N. B. Viktorov、D. V. Lyamenkova、N. I. Svintsitskaya、A. V. Garabadziu、A. V. Dogadina

  DOI：10.1134/s1070363216110086

  日期：2016.11

  The reactions of chloroethynylphosphonates with aromatic secondary aminomalonates occur as classic nucleophilic substitution of chlorine atom at the sp-hybridizied carbon atom to form new phosphorylated 2-arylaminomalonates, diethyl esters of 2-(diethoxyphosphorylethynyl)-2-arylaminomalonic acids. Nonobservance of chemo- and regioselectivity was revealed when using cyclohexyl- and benzylaminomalonates

  氯乙炔基膦酸酯与芳族仲氨基丙二酸酯的反应是作为氯原子在sp-杂化碳原子上的经典亲核取代反应而形成的新的磷酸化的2-芳基氨基丙二酸酯，即2-（二乙氧基磷酸乙炔基）-2-芳基氨基丙二酸的二乙酯。使用环己基和苄基氨基丙二酸酯时，未观察到化学选择性和区域选择性。
• BF3·Et2O catalyzed intramolecular cyclization of diethyl 2-(dialkoxyphosphorylethynyl)-2-arylaminomalonates to 3-phosphonylated indoles
  作者：Anastasia V. Egorova、Nikolai B. Viktorov、Galina L. Starova、Nataly I. Svintsitskaya、Aleksandr V. Garabadziu、Albina V. Dogadina

  DOI：10.1016/j.tetlet.2017.06.062

  日期：2017.7

  The boron trifluoride diethyl etherate catalyzed intramolecular cyclization of diethyl 2-(dialkoxyphosphorylethynyl)-2-arylaminomalonates afforded a series of novel 3-phosphonylated indoles, diethyl 2-[3-(dialkoxyphosphoryl)-1H-indol-2-yl]propanedioates. Decarboxylation of the latter compounds resulted in the formation of ethyl 2-[3-(dialkoxyphosphoryl)-1H-indol-2-yl]acetates.

  三氟化硼二乙基醚化物催化2-（二烷氧基磷酸乙炔基）-2-芳基氨基丙二酸二乙酯的分子内环化，提供了一系列新型的3-膦酰化吲哚，即2- [3-（3-（二烷氧基磷酰基）-1] H-吲哚-2-基]丙二酸酯二乙基。后一种化合物的脱羧作用导致形成2- [3-（二烷氧基磷酰基）-1 H-吲哚-2-基]乙酸乙酯。
• Laser-induced switching of the biological activity of phosphonate molecules
  作者：Ilya Kolesnikov、Anastasia Khokhlova、Dmitry Pankin、Anna Pilip、Anastasia Egorova、Vladislav Zigel、Maxim Gureev、Gerd Leuchs、Alina Manshina

  DOI：10.1039/d1nj02487f

  日期：——

  Butyrylcholinesterase inhibition and its enhancement as a result of laser irradiation are demonstrated for the first time for a series of phosphorylated arylaminomalonates. The effect of substituents in the phenyl group on butyrylcholinesterase inhibition and its laser-activated enhancement is revealed experimentally and confirmed by molecular dynamics and docking modelling.

  首次证明了一系列磷酸化芳基氨基丙二酸酯对丁酰胆碱酯酶的抑制及其由于激光照射而引起的增强作用。苯基中的取代基对丁酰胆碱酯酶抑制及其激光激活增强的影响通过实验揭示，并通过分子动力学和对接建模得到证实。
• Pyrimidines. IX. 4- and 5-(Substituted-anilino)pyrimidines
  作者：Darrell E. O'Brien、Fred. Baiocchi、Roland K. Robins、C. C. Cheng

  DOI：10.1021/jm01241a003

  日期：1962.11.1
• Prelicz, Danuta; Czuba, Wladyslaw; Sedzik-Hibner, Dorota, Polish Journal of Chemistry, 1982, vol. 56, # 7/8/9, p. 1049 - 1062
  作者：Prelicz, Danuta、Czuba, Wladyslaw、Sedzik-Hibner, Dorota、Arct, Barbara、Lorenz, Magdalena

  DOI：——

  日期：——