4-(2-Morpholin-4-yl-ethylamino)-benzoic acid methyl ester

• 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: 4-(2-Morpholin-4-yl-ethylamino)-benzoic acid methyl ester
• 英文别名: methyl 4-(2-morpholin-4-ylethylamino)benzoate
• 化学式: C₁₄H₂₀N₂O₃
• 分子量: 264.324
• InChiKey: XJYAKIHBZJMQIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-Morpholin-4-yl-ethylamino)-benzoic acid methyl ester 、 4-吡咯烷-1-苯甲酸甲酯 生成 4-(2-morpholin-4-yl-ethylamino)-benzoic acid
  参考文献：
  名称：

  Cysteine protease inhibitors

  摘要：

  化学式（IV）如下所示：1其中：R1 = R'C（O），R′SO2，R′为含有0-4个来自S、O和N的杂原子的双环饱和或不饱和8-12环系统，可以用以下a）、b）和c）中的任意一组高达四个取代基取代；或R′为含有0-3个来自S、O和N的杂原子的单环饱和或不饱和5-7环，该单环环上至少带有一种来自a）和/或c）组的取代基，并且可以选择地带有一种或两种来自b）组的进一步取代基；R4 = H，C1-7-烷基，Ar—C1-7-烷基，Ar，C3-7-环烷基；C2-7烯基；R3 = C1-7-烷基，C2-C7烯基，C2-C7烷基，C3-7-环烷基，Ar—C1-7-烷基，Ar；R5 = C1-7-烷基，卤素，Ar—C1-7-烷基，C0-3-烷基-CONR3R4或笨重的胺；R6为H，C1-7-烷基，Ar—C1-7-烷基，C1-3-烷基-SO2-Rix，C1-3-烷基-C（O）-NHRix或CH2X；Arq为0或1。具有抑制半胱氨酸蛋白酶如猫hepsin K和falcipain的作用。

  公开号：

  US20040229915A1
• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 4-氨基苯甲酸甲酯 在 potassium iodide 作用下， 以 乙腈 为溶剂， 170.0 ℃ 、650.0 kPa 条件下， 反应 0.17h， 以98%的产率得到4-(2-Morpholin-4-yl-ethylamino)-benzoic acid methyl ester
  参考文献：
  名称：

  Potassium iodide catalysed monoalkylation of anilines under microwave irradiation

  摘要：

  A potassium iodide catalysed method for the selective N-monoalkylation anilines with alkylhalides and alkyltosylates under microwave irradiation is described. The corresponding N-alkylanilines are obtained in good yields with only minor quantities of dialkylation by-products. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.002

文献信息

• CYSTEINE PROTEASE INHIBITORS
  申请人：MEDIVIR AB

  公开号：EP1358183A2

  公开（公告）日：2003-11-05
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA CYSTEINE PROTEASE
  申请人：MEDIVIR AB

  公开号：WO2002088106A2

  公开（公告）日：2002-11-07

  In formula (IV) R1 = R'C(O), R'SO2, R' = a bicyclic, saturated or unsaturated, 8-12 membered ring system containing 0-4 hetero atoms selected from S, O and N, which is optionally substituted with up to four substituents independently selected from groups a), b), and c) below; or R'= a monocyclic, saturated or unsaturated, 5-7 membered ring containing 0-3 hetero atoms selected from S, O and N, which monocyclic ring bears at least one substituent selected from group a) and/or c) and which may optionally bear one or two further substituents selected from group b); R4 = H, C1-7-alkyl, Ar-C1-7-alkyl, Ar, C3-7-cycloalkyl; C2-7-alkenyl; R3 = C1-7-alkyl, C2-C7 alkenyl, C2-C7 alkenyl, C3-7-cycloalkyl, Ar-C1-7-alkyl, Ar; R5 = C1-7-alkyl, halogen, Ar-C1-7-alkyl, C0-3-alkyl-CONR3R4 or a bulky amine, R6 is H, C1-7-alkyl, Ar-C1-7-alkyl, C1-3-alkyl-SO2-Rix, C1-3-alkyl-C(O)-NHRix or CH¿2?XAr, q is 0 or 1, have utility as inhibitors of cysteine proteases such as cathepsin K and falcipain.
• Cysteine protease inhibitors
  申请人：——

  公开号：US20030186962A1

  公开（公告）日：2003-10-02

  of the formula (IV): 1 where: R1=R′C(O), R′SO2, R′=a bicyclic, saturated or unsaturated, 8-12 membered ring system containing 0-4 hetero atoms selected from S, O and N, which is optionally substituted with up to four substituents independently selected from groups a), b) and c) below; or R′=a monocyclic, saturated or unsaturated, 5-7 membered ring containing 0-3 hetero atoms selected from S, O and N, which monocyclic ring bears at least one substituent selected from group a) and/or c) and which may optionally bear one or two further substituents selected from group b); R4=H, C1-7-alkyl, Ar-C1-7-alkyl, Ar, C3-7-cycloalkyl; C2-7alkenyl; R3=C1-7-alkyl, C2-C7 alkenyl, C2-C7 alkenyl, C3-7-cycloalkyl, Ar-C1-7-alkyl, Ar; R5=C1-7-alkyl, halogen, Ar-C1-7-alkyl, C1-3-alkyl-CONR3R4 or a bulky amine R6 is H, C1-7-alkyl, Ar-C1-7-alkyl, C1-3-alkyl-SO2-R ix , C1-3-alkyl-C(O)—NHR ix or CH 2 XAr q is 0 or 1 have utility as inhibitors of cysteine proteases such as cathepsin K and falcipain.

  公式（IV）的翻译如下： 其中： R1=R′C(O)，R′SO2， R′=含有0-4个来自S、O和N的杂原子的8-12元环系统，可以选择饱和或不饱和的双环，可选地取代最多四个从下面的a)、b)和c)组中独立选择的取代基；或 R′=含有0-3个来自S、O和N的杂原子的5-7元环，该单环至少带有从a)组和/或c)组中选择的一个取代基，并且可选地带有从b)组中选择的一个或两个进一步的取代基； R4=H，C1-7-烷基，Ar-C1-7-烷基，Ar，C3-7-环烷基；C2-7-烯基； R3=C1-7-烷基，C2-C7烯基，C2-C7烯基，C3-7-环烷基，Ar-C1-7-烷基，Ar； R5=C1-7-烷基，卤素，Ar-C1-7-烷基，C1-3-烷基-CONR3R4或体积庞大的胺 R6为H，C1-7-烷基，Ar-C1-7-烷基，C1-3-烷基-SO2-R ix ，C1-3-烷基-C(O)—NHR ix 或CH 2 XAr q为0或1 具有作为半胱氨酸蛋白酶抑制剂的实用性，例如卡特普辛K和疟原虫蛋白酶。
• Potassium iodide catalysed monoalkylation of anilines under microwave irradiation
  作者：Juan L. Romera、José M. Cid、Andrés A. Trabanco

  DOI：10.1016/j.tetlet.2004.10.002

  日期：2004.11

  A potassium iodide catalysed method for the selective N-monoalkylation anilines with alkylhalides and alkyltosylates under microwave irradiation is described. The corresponding N-alkylanilines are obtained in good yields with only minor quantities of dialkylation by-products. (C) 2004 Elsevier Ltd. All rights reserved.