4-(2-甲氧基)苯腈 | 80407-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-甲氧基)苯腈
• 中文别名: 4-(2-甲氧基乙氧基)苯甲腈
• 英文名称: 4-(2-methoxyethoxy)benzonitrile
• 英文别名: 4-(2-methoxy-ethoxy)-benzonitrile；4-(2-Methoxy-aethoxy)-benzonitril
• CAS: 80407-66-5
• 化学式: C₁₀H₁₁NO₂
• mdl: MFCD09907643
• 分子量: 177.203
• InChiKey: SISNRWJOVBGIJH-UHFFFAOYSA-N

物化性质

• 熔点：
  44-45℃
• 沸点：
  307℃
• 密度：
  1.09
• 闪点：
  122℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-甲氧基)苯腈 在 吡啶 、 ammonium sulfide 、 三乙胺 作用下， 以 水 为溶剂， 以64 %的产率得到4-(2-Methoxyethoxy)benzene-1-carbothioamide
  参考文献：
  名称：

  PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER

  摘要：

  Provided according to some embodiments is a compound of Formula (I), or a pharmaceutically acceptable salt or prodrug thereof. Pharmaceutical compositions comprising the same and methods of use for treating cancer and inhibiting PRX3 are also provided.

  公开号：

  WO2024044744A2
• 作为产物：
  描述：

  4-羟基苯甲腈 、 2-溴乙基甲基醚 在 sodium ethanolate 作用下， 生成 4-(2-甲氧基)苯腈
  参考文献：
  名称：

  91.抗结核化合物。第六部分 p-（ω-烷氧基烷氧基）-N-芳基苯甲m及其类似物

  摘要：

  DOI：

  10.1039/jr9500000459

文献信息

• [EN] HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS<br/>[FR] COMPOSES HETEROCYCLIQUES UTILES EN TANT QU'ACTIVATEURS DE NURR-1
  申请人：NOVARTIS AG

  公开号：WO2004072050A1

  公开（公告）日：2004-08-26

  The present invention relates to compounds of formula (I) : wherein R1 is hydroxy, C1-4 alkoxy ,amino, C1-4 alkyl-amino, di C1-4 alkylamino , benzyloxy or C2-C7 alkanoyl, R2 is C1-4 alkyl, C1-4 alkoxy, C1-4 alkoxy C1-4 alkoxy, CF3, halogen, C1-4alkylamino, di C1-4alkylamino, di C1-4 alkylamino C1-4 alkoxy or N-C1-4 alkoxy C1-4 alkyl-N­-C1-4 alkylamino, N-C1-4 alkyl-piperazinyl, morpholinyl or pyrrolidinyl-C1-4 alkoxy, wherein the C1-4 alkyl radicals in R2 are optionally further substituted by C1-4 alkyl, halogen, cyano, amino, alkoxy or alkylthio, X is N or O, Y is N, O or CH, Z is N or CH, and W is N or CH, provided that (a) R1 is not hydroxy or C1-4 alkoxy when R2 is CF3, X is O, Y is CH, Z is N and W is CH, (b) R1 is not hydroxy or C1-4 alkoxy when R2 is CF3 or chloro, X is N, Y is O, Z is CH and W is CH, (c) R1 is not hydroxy when R2 is CF3, X is O, Y is N, Z is CH and W is CH and (d) X and Y are not simultaneously O, the salts thereof; their preparation, their use and pharmaceutical compositions containing them.

  本发明涉及以下化合物的公式（I）：其中R1是羟基，C1-4烷氧基，氨基，C1-4烷基氨基，二甲基胺基，苄氧基或C2-C7烷酰基，R2是C1-4烷基，C1-4烷氧基，C1-4烷氧基C1-4烷氧基，CF3，卤素，C1-4烷基氨基，二C1-4烷基胺基，二C1-4烷基胺基C1-4烷氧基或N-C1-4烷氧基C1-4烷基-N-C1-4烷基胺基，N-C1-4烷基哌嗪基，吗啉基或吡咯啉基-C1-4烷氧基，其中R2中的C1-4烷基基团可以进一步被C1-4烷基，卤素，氰基，氨基，烷氧基或烷基硫基取代，X是N或O，Y是N，O或CH，Z是N或CH，W是N或CH，但前提是（a）当R2是 ，X是O，Y是CH，Z是N，W是CH时，R1不是羟基或C1-4烷氧基，（b）当R2是 或氯时，X是N，Y是O，Z是CH，W是CH时，R1不是羟基或C1-4烷氧基，（c）当R2是 ，X是O，Y是N，Z是CH，W是CH时，R1不是羟基，（d）X和Y不同时是O，以及它们的盐；它们的制备，其用途以及含有它们的药物组合物。
• Heterocyclic compounds useful as nurr-1 activators
  申请人：Hintermann Samuel

  公开号：US20060089365A1

  公开（公告）日：2006-04-27

  The present invention relates to compounds of formula (I): wherein R 1 is hydroxy, C 1-4 alkoxy, amino, C 1-4 alkyl-amino, di C 1-4 alkylamino, benzyloxy or C 2 -C 7 alkanoyl, R 2 is C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkoxy C 1-4 alkoxy, CF 3 , halogen, C 1-4 alkylamino, di C 1-4 alkylamino, di C 1-4 alkylamino C 1-4 alkoxy or N—C 1-4 alkoxy C 1-4 alkyl-N—C 1-4 alkylamino, N—C 1-4 alkyl-piperazinyl, morpholinyl or pyrrolidinyl-C 1-4 alkoxy, wherein the C 1-4 alkyl radicals in R 2 are optionally further substituted by C 1-4 alkyl, halogen, cyano, amino, alkoxy or alkylthio, X is N or O, Y is N, O or CH, Z is N or CH, and W is N or CH, provided that (a) R 1 is not hydroxy or C 1-4 alkoxy when R 2 is CF 3 , X is O, Y is CH, Z is N and W is CH, (b) R 1 is not hydroxy or C 1-4 alkoxy when R 2 is CF 3 or chloro, X is N, Y is O, Z is CH and W is CH, (c) R 1 is not hydroxy when R 2 is CF 3 , X is O, Y is N, Z is CH and W is CH and (d) X and Y are not simultaneously O, the salts thereof; their preparation, their use and pharmaceutical compositions containing them.

  本发明涉及式(I)的化合物：其中R1为羟基、C1-4烷氧基、氨基、C1-4烷基氨基、二个C1-4烷基氨基、苄氧基或C2-C7烷酰基，R2为C1-4烷基、C1-4烷氧基、C1-4烷氧基C1-4烷氧基、CF3、卤素、C1-4烷基氨基、二个C1-4烷基氨基、二个C1-4烷基氨基C1-4烷氧基或N-C1-4烷氧基C1-4烷基-N-C1-4烷基氨基、N-C1-4烷基哌嗪基、吗啉基或吡咯烷基-C1-4烷氧基，其中R2中的C1-4烷基基团可以选择进一步取代为C1-4烷基、卤素、氰基、烷氧基或烷基硫醚，X为N或O，Y为N、O或CH，Z为N或CH，W为N或CH，条件是(a)当R2为 ，X为O，Y为CH，Z为N，W为CH时，R1不是羟基或C1-4烷氧基，(b)当R2为 或氯时，X为N，Y为O，Z为CH，W为CH时，R1不是羟基或C1-4烷氧基，(c)当R2为 ，X为O，Y为N，Z为CH，W为CH时，R1不是羟基，(d)X和Y不同时为O，以及它们的盐；它们的制备、使用以及含有它们的制药组合物。
• Rapid microwave-assisted synthesis of phenyl ethers under mildly basic and nonaqueous conditions
  作者：Julien Sarju、Timothy N. Danks、Gabriele Wagner

  DOI：10.1016/j.tetlet.2004.08.087

  日期：2004.10

  A mild method for O-alkylation of phenols has been developed using stoichiometric amounts of K2CO3 as a base and microwave irradiation. The method is suitable for substrates that are sensitive towards strong bases or hydrolysis, or difficult to extract from an aqueous medium. (C) 2004 Elsevier Ltd. All rights reserved.
• HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS
  申请人：Novartis AG

  公开号：EP1597243A1

  公开（公告）日：2005-11-23
• RAPAMYCIN ANALOGS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20210186935A1

  公开（公告）日：2021-06-24

  The present invention provides compounds, compositions thereof, and methods of using the same.