2-(3-methoxyphenyl)pentanenitrile | 1505-75-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-methoxyphenyl)pentanenitrile
• 英文别名: 2-<3-Methoxy-pheny>l-pentansaeure-nitril；2-(3-Methoxyphenyl)-valeronitril；<3-Methoxy-phenyl>-propyl-acetonitril；2-(3-Methoxy-phenyl)-pentan-nitrile
• CAS: 1505-75-5
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: WDKGYAPFDUQMLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-methoxyphenyl)pentanenitrile 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以90.9%的产率得到2-(3-methoxy-phenyl)-pentylamine
  参考文献：
  名称：

  Benzazine derivatives as phosphodiesterase 4 inhibitors

  摘要：

  公式I的化合物：其中A是含有氮原子的杂环，可饱和或不饱和，也可进一步被氧基(═O)取代；R是：氢，氰基，(C1-4)烷氧羰基，氨基甲酰基；可选择取代的(C4-7)环烷基，芳基或杂环；(C1-8)烷基，(C2-8)烯基或(C2-8)炔基，可分支和/或取代的(C4-7)环烷基，芳基或杂环；芳氧基，杂环氧基，芳基(C1-4)烷氧基，杂环(C1-4)烷氧基，氨基取代的一个或两个(C1-4)烷基，芳基氨基，杂环氨基，芳基(C1-4)烷基氨基，或杂环(C1-4)烷基氨基；Y是亚甲基或乙烯基；W是可选择取代的芳基或杂环；R1是氢，(C4-7)环烷基或(C2-8)烷基，(C2-8)烯基或(C2-8)炔基，可选择取代的羟基，氧基，(C4-7)环烷基，芳基或杂环，可被一个或多个杂原子或杂基中断；R2是(C1-6)烷基或多氟(C1-6)烷基；公式I的化合物的N→O衍生物及其药学上可接受的盐。公式(I)的化合物是PDE 4抑制剂，可用于涉及PDE 4抑制的组合物和方法中。

  公开号：

  US06358973B1
• 作为产物：
  描述：

  苯甲醇,3-甲氧基-a-丙基- 在 吡啶 、 氯化亚砜 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(3-methoxyphenyl)pentanenitrile
  参考文献：
  名称：

  基于吡咯烷环的止痛药。IV。

  摘要：

  DOI：

  10.1021/jm00327a009

文献信息

• Amine-functionalized bifunctional Co^III-NHC complexes: highly effective phosphine-free catalysts for the α-alkylation of nitriles
  作者：Biswaranjan Boity、Misba Sidiqque、Arnab Rit

  DOI：10.1039/d3cc05454c

  日期：——

  Robust bifunctional Co^III –complexes featuring amine-functionalized NHC ligands have been developed as highly effective catalysts for the nitrile α-alkylation with diverse alcohols, spanning from aliphatic to aromatic including the secondary ones.

  以胺功能化 NHC 配体为特征的强大的双功能 CoIII - 复合物已被开发为高效催化剂，用于腈类 α - 烷基化与从脂肪族到芳香族的各种醇类（包括仲醇）的反应。
• BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS
  申请人：ZAMBON GROUP S.p.A.

  公开号：EP1121353A1

  公开（公告）日：2001-08-08
• US6358973B1
  申请人：——

  公开号：US6358973B1

  公开（公告）日：2002-03-19
• [EN] BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS<br/>[FR] DERIVES DE BENZAZINE UTILISES COMME INHIBITEURS DE PHOSPHODIESTERASE 4
  申请人：ZAMBON SPA

  公开号：WO2000021947A1

  公开（公告）日：2000-04-20

  Compounds of formula (I) wherein A is a heterocycle containing a nitrogen atom and optionally unsaturated and optionally further substituted by an oxo group (=O); R is hydrogen, cyano, (C1-4)alkoxycarbonyl, carbamoyl; optionally substituted (C4-7)-cycloalkyl, aryl or heterocycle; (C1-8)alkyl, (C2-8)alkenyl or (C2-8)alkynyl optionally branched and/or substituted by (C4-7)cycloalkyl, aryl or heterocycle; aryloxy, heterocyclyloxy, aryl-(C1-4)alkoxy, heterocyclyl(C1-4)alkoxy, amino substituted by one or two (C1-4)alkyl group(s), aryl-amino, heterocyclyl-amino, aryl(C1-4)alkyl-amino, heterocyclyl(C1-4)alkylamino; Y is methylene or ethylene; W is an optionally substituted aryl or heterocycle; R1 is hydrogen, (C4-7)cycloalkyl or a (C1-8)alkyl, (C2-8)alkenyl or (C2-8)alkynyl group optionally substituted by hydroxy, oxo, (C4-7)cycloalkyl, aryl or heterocycle, and optionally interrupted by one or more heteroatom(s) or heterogroup(s); R2 is a (C1-6)alkyl or polyfluoro(C1-6)alkyl group; the N→O derivatives and the pharmaceutically acceptable salts thereof are described. The compounds of formula (I) are PDE 4 inhibitors.
• Benzazine derivatives as phosphodiesterase 4 inhibitors
  申请人：Zambon Group S.p.A.

  公开号：US06358973B1

  公开（公告）日：2002-03-19

  Compounds of formula I: wherein A is a heterocycle containing a nitrogen atom and optionally saturated or unsaturated and optionally further substituted by an oxo group (═O); R is: hydrogen, cyano, (C1-4)alkoxycarbonyl, carbamoyl; optionally substituted (C4-7)-cycloalkyl, aryl or heterocycle; (C1-8)alkyl, (C2-8)alkenyl or (C2-8)alkynyl optionally branched and/or substituted by (C4-7) cycloalkyl, aryl or heterocycle; aryloxy, heterocyclyloxy, aryl(C1-4)alkoxy, heterocyclyl(C1-4)alkoxy, amino substituted by one or two (C1-4)alkyl group(s), aryl-amino, heterocyclyl-amino, aryl(C1-4)alkyl-amino, or heterocyclyl(C1-4)alkylamino; Y is methylene or ethylene; W is an optionally substituted aryl or heterocycle; R1 is hydrogen, (C4-7)cycloalkyl or a (C2-8)alkyl, (C2-8)alkenyl or (C2-8)alkynyl group optionally substituted by hydroxy, oxo, (C4-7)cycloalkyl, aryl or heterocycle, and optionally interrupted by one or more heteroatom(s) or heterogroup(s); R2 is a (C1-6)alkyl or polyfluoro(C1-6)alkyl group; the N→O derivatives of the compounds of formula I and the pharmaceutically acceptable salts thereof. The compounds of formula (I) are PDE 4 inhibitors and may be used in compositions and methods involving PDE 4 inhibition.

  公式I的化合物：其中A是含有氮原子的杂环，可饱和或不饱和，也可进一步被氧基(═O)取代；R是：氢，氰基，(C1-4)烷氧羰基，氨基甲酰基；可选择取代的(C4-7)环烷基，芳基或杂环；(C1-8)烷基，(C2-8)烯基或(C2-8)炔基，可分支和/或取代的(C4-7)环烷基，芳基或杂环；芳氧基，杂环氧基，芳基(C1-4)烷氧基，杂环(C1-4)烷氧基，氨基取代的一个或两个(C1-4)烷基，芳基氨基，杂环氨基，芳基(C1-4)烷基氨基，或杂环(C1-4)烷基氨基；Y是亚甲基或乙烯基；W是可选择取代的芳基或杂环；R1是氢，(C4-7)环烷基或(C2-8)烷基，(C2-8)烯基或(C2-8)炔基，可选择取代的羟基，氧基，(C4-7)环烷基，芳基或杂环，可被一个或多个杂原子或杂基中断；R2是(C1-6)烷基或多氟(C1-6)烷基；公式I的化合物的N→O衍生物及其药学上可接受的盐。公式(I)的化合物是PDE 4抑制剂，可用于涉及PDE 4抑制的组合物和方法中。