ethyl 2-cyano-2-(4-nitrophenyl)propionate | 697805-56-4

• 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: ethyl 2-cyano-2-(4-nitrophenyl)propionate
• 英文别名: Cyano-methyl-(4-nitro-phenyl)-acetic acid ethyl ester；ethyl 2-cyano-2-(4-nitrophenyl)propanoate
• CAS: 697805-56-4
• 化学式: C₁₂H₁₂N₂O₄
• mdl: MFCD27092461
• 分子量: 248.238
• InChiKey: WRJOFJXINLXZNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  95.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-cyano-2-(4-nitrophenyl)propionate 在 镍 氢气 作用下， 以 乙醇 、 水 为溶剂， 20.0 ℃ 、206.85 kPa 条件下， 反应 18.0h， 生成 Ethyl 3-amino-2-(4-aminophenyl)-2-methylpropanoate
  参考文献：
  名称：

  N-aryl-2-oxazolidinone-5-carboxamides and their derivatives

  摘要：

  本发明提供了具有以下式I的抗菌剂。

  公开号：

  US20040204463A1
• 作为产物：
  描述：

  4-硝基碘苯 、 2-氰基丙酸乙酯 在 copper(l) iodide 、 sodium picolinate 、 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以90%的产率得到ethyl 2-cyano-2-(4-nitrophenyl)propionate
  参考文献：
  名称：

  Synthesis of 2-alkyl-2-arylcyanoacetates via CuI/sodium picolinate-catalyzed direct arylation of α-substituted cyanoacetates

  摘要：

  CuI/sodium picolinate-catalyzed direct arylation of alpha-substituted cyanoacetates takes place at 60 degrees C in the presence of Cs2CO3 and 4 angstrom molecular sieve, affording 2-alkyl-2-arylcyanoacetates in good to excellent yields. Both electron-rich and electronic-deficient aryl iodides, and some functionalized a-substituted cyanoacetates are compatible with the reaction conditions, thereby allowing diverse synthesis of 2-alkyl-2-arylcyanoacetates. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.057

文献信息

• N-aryl-2-oxazolidinone-5-carboxamides and their derivatives
  申请人：——

  公开号：US20040204463A1

  公开（公告）日：2004-10-14

  The present invention provides antibacterial agents having the formula I described herein.

  本发明提供了具有以下式I的抗菌剂。
• NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE
  申请人：Bonnet Beatrice

  公开号：US20100249123A1

  公开（公告）日：2010-09-30

  The present invention provides new compounds of formula I, wherein Q, R 1 , R 2 , R 4 , R 5 , R 6 , X i , R 7 , R 8 , M and G 1 n are defined as in formula I; invention compounds are modulators of follicle-stimulating hormone—(“FSH”) which are useful for male and female contraception as well as other disorders modulated by FSH receptor.

  本发明提供了新的I式化合物，其中Q、R1、R2、R4、R5、R6、Xi、R7、R8、M和G1n如I式中所定义；发明化合物是促卵泡素-（“FSH”）的调节剂，可用于男性和女性避孕以及其他受FSH受体调节的疾病。
• [EN] NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZAMIDE EN TANT QUE MODULATEURS DE LA GONADOTROPHINE A
  申请人：ADDEX PHARMA SA

  公开号：WO2008117175A2

  公开（公告）日：2008-10-02

  [EN] The present invention provides new compounds of formula I, wherein Q, R_1, R₂, R₄, R₅, R₆, X_i, R₇, R₈, M and G¹
  [FR] La présente invention concerne de nouveaux composés de formule I. Q, R_1, R₂, R₄, R₅, R₆, X_i, R₇, R₈, M et G¹
• [EN] N-(4-(PIPERAZIN-1-YL)-PHENYL-2-OXAZOLIDINONE-5-CARBOXAMIDE DERIVATES AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES DE N-(4-(PIPERAZINE-1-YL)-PHENYL-2-OXAZOLIDINONE-5-CARBOXAMIDES ET COMPOSES ASSOCIES SERVANT D'AGENTS ANTIBACTERIENS
  申请人：UPJOHN CO

  公开号：WO2004045616A1

  公开（公告）日：2004-06-03

  The present invention provides antibacterial agents having the formula I described herein. or-pharmaceutically acceptable salts thereof wherein: A is a structure i, ii, iii, or iv, W is N(H)C(X)-R,. Het, or -Y HET, in which the Hot or Y HET is optionally substituted with =S or '0, provided that when A is structure iv, W is not - Y--1-MT or Het;

  本发明提供了具有以下式I的抗菌剂，或其药学上可接受的盐，其中：A是结构i、ii、iii或iv，W是N(H)C(X)-R、Het或-Y HET，在其中Hot或Y HET可以选择地被=S或'0取代，但当A是结构iv时，W不是-Y--1-MT或Het。
• Synthesis of 2-alkyl-2-arylcyanoacetates via CuI/sodium picolinate-catalyzed direct arylation of α-substituted cyanoacetates
  作者：Siwei Xie、Peng Qin、Meng Li、Xiaojing Zhang、Yongwen Jiang、Dawei Ma

  DOI：10.1016/j.tetlet.2013.05.057

  日期：2013.7

  CuI/sodium picolinate-catalyzed direct arylation of alpha-substituted cyanoacetates takes place at 60 degrees C in the presence of Cs2CO3 and 4 angstrom molecular sieve, affording 2-alkyl-2-arylcyanoacetates in good to excellent yields. Both electron-rich and electronic-deficient aryl iodides, and some functionalized a-substituted cyanoacetates are compatible with the reaction conditions, thereby allowing diverse synthesis of 2-alkyl-2-arylcyanoacetates. (C) 2013 Elsevier Ltd. All rights reserved.