1,3-diethyl 2-[3-(4-nitrophenyl)propyl]propanedioate | 118598-37-1

• 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: 1,3-diethyl 2-[3-(4-nitrophenyl)propyl]propanedioate
• 英文别名: diethyl 2-[3-(4-nitrophenyl)propyl]propanedioate
• CAS: 118598-37-1
• 化学式: C₁₆H₂₁NO₆
• 分子量: 323.346
• InChiKey: IDZQCBMTQCSSJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3-diethyl 2-[3-(4-nitrophenyl)propyl]propanedioate 以 溶剂黄146 、 盐酸 为溶剂， 反应 24.0h， 以to provide 18 (0.97 g, 100%) as a yellow solid that的产率得到5-(4-nitrophenyl)pentanoic acid
  参考文献：
  名称：

  MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME

  摘要：

  多功能螯合剂，其金属配合物，组合物以及在诊断成像和治疗细胞疾病方面的制备和使用方法。

  公开号：

  US20160235870A1
• 作为产物：
  描述：

  1-(3-溴丙基)-4-硝基苯 、 丙二酸二乙酯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 24.5h， 以70%的产率得到1,3-diethyl 2-[3-(4-nitrophenyl)propyl]propanedioate
  参考文献：
  名称：

  [EN] MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME
  [FR] CHÉLATEURS MULTIFONCTIONNELS, COMPLEXES, ET COMPOSITIONS DE CEUX-CI, ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  多功能螯合剂，其金属配合物，组合物以及在细胞疾病的诊断成像和治疗中的制备和使用方法。

  公开号：

  WO2015051362A1

文献信息

• Convenient synthesis of 3,4-dihydro-2(1h)-quinolinones from malonate Derivatives
  作者：Takuma Tsubusaki、Hiroshi Nishino

  DOI：10.1515/hc.2009.15.1.79

  日期：2009.1

  The diethyl 2-[2-(./V-arylamino)-2-oxoethyl]malonates underwent manganese(III)-mediated oxidative 6-endo-trig cyclization to produce the 4,4-bis(ethoxycarbonyl)-3,4-dihydro-2(l//)-quinolinones in excellent yields. The manganese(III) acetate-mediated oxidative intramolecular cylization reaction is one of the most useful and efficient techniques to obtain cyclization products. The reaction has also been

  2-[2-(./V-芳基氨基)-2-氧乙基]丙二酸二乙酯经过锰 (III) 介导的氧化 6-endo-trig 环化反应生成 4,4-双（乙氧基羰基）-3,4-二氢-2(l//)-喹啉酮的产率极好。乙酸锰（III）介导的氧化分子内环化反应是获得环化产物最有用和最有效的技术之一。该反应也被用于合成杂环化合物。由于通过苯胺与酰卤的缩合很容易制备酰胺衍生物，我们计划使用乙酸锰（III）按顺序检查 2-[2-（A^-芳基氨基）-2-氧乙基]丙二酸酯的氧化分子内环化合成二氢喹啉酮。二氢喹啉酮是一种生物学上非常重要的喹啉生物碱。尽管 Citterio 等人。报道了锰（III）介导的丙二酸酯分子内环化（方案 I 中的方程式 1）和 Chuang 等人。还显示了使用烷基磺酰苯胺的类似反应，产生 2(l//)-喹啉酮（方案 1 中的方程式 2），据我们所知，使用 2-[2-(N-芳基氨基)-2 -oxoethyI]丙二酸酯从未被检查过。R
• Multifunctional chelators, complexes, and compositions thereof, and methods of using same
  申请人：ILLINOIS INSTITUTE OF TECHNOLOGY

  公开号：US10441669B2

  公开（公告）日：2019-10-15

  Multifunctional chelators, metal complexes thereof, compositions thereof, and methods of making and use in diagnostic imaging and treatment of cellular disorders.

  多功能螯合剂、其金属复合物、其组合物，以及在诊断成像和治疗细胞疾病中的制造和使用方法。
• Synthesis and comparative biological evaluation of bifunctional ligands for radiotherapy applications of 90Y and 177Lu
  作者：Hyun-Soon Chong、Xiang Sun、Yunwei Chen、Inseok Sin、Chi Soo Kang、Michael R. Lewis、Dijie Liu、Varyanna C. Ruthengael、Yongliang Zhong、Ningjie Wu、Hyun A. Song

  DOI：10.1016/j.bmc.2014.12.035

  日期：2015.3

  Zevalin (R) is an antibody-drug conjugate radiolabeled with a cytotoxic radioisotope (Y-90) that was approved for radioimmunotherapy (RIT) of B-cell non-Hodgkin's lymphoma. A bifunctional ligand that displays favorable complexation kinetics and in vivo stability is required for effective RIT. New bifunctional ligands 3p-C-DE4TA and 3p-C-NE3TA for potential use in RIT were efficiently prepared by the synthetic route based on regiospecific ring opening of aziridinium ions with prealkylated triaza- or tetraaza-backboned macrocycles. The new bifunctional ligands 3p-C-DE4TA and 3p-C-NE3TA along with the known bimodal ligands 3p-C-NETA and 3p-C-DEPA were comparatively evaluated for potential use in targeted radiotherapy using beta-emitting radionuclides Y-90 and Lu-177. The bifunctional ligands were evaluated for radiolabeling kinetics with Y-90 and Lu-177, and the corresponding Y-90 or Lu-177-radiolabeled complexes were studied for in vitro stability in human serum and in vivo biodistribution in mice. The results of the comparative complexation kinetic and stability studies indicate that size of macrocyclic cavity, ligand denticity, and bimodality of donor groups have a substantial impact on complexation of the bifunctional ligands with the radiolanthanides. The new promising bifunctional chelates in the DE4TA and NE3TA series were rapid in binding Y-90 and Lu-177, and the corresponding Y-90- and Lu-177-radiolabeled complexes remained inert in human serumor in mice. The in vitro and in vivo data show that 3p-C-DE4TA and 3p-C-NE3TA are promising bifunctional ligands for targeted radiotherapy applications of Y-90 and Lu-177. (C) 2014 Elsevier Ltd. All rights reserved.
• Manganese(III) acetate-induced cyclization of .alpha.-(arylalkyl) and .alpha.-(aryloxy)alkyl .beta.-dicarbonyl derivatives
  作者：Attilio Citterio、Daniele Fancelli、Claudia Finzi、Luca Pesce、Roberto Santi

  DOI：10.1021/jo00272a047

  日期：1989.5