3-(4-methoxy-3-methylphenyl)propanenitrile | 22446-57-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-methoxy-3-methylphenyl)propanenitrile
• 英文别名: 3-(4-methoxy-5-methylphenyl)propanenitrile；β-(p-Methoxy-m-methyl-phenyl)-propionitril；β-(3-Methyl-4-methoxyphenyl)-propionitril；4-Methoxy-3-methyl-phenaethylcyanid
• CAS: 22446-57-7
• 化学式: C₁₁H₁₃NO
• 分子量: 175.23
• InChiKey: HPNHUTMQSFKZII-UHFFFAOYSA-N

物化性质

• 沸点：
  118 °C(Press: 0.2 Torr)
• 密度：
  1.016±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  3-(4-methoxy-3-methylphenyl)propanenitrile 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 9.0h， 以99%的产率得到3-(4-hydroxy-3-methylphenyl)propanenitrile
  参考文献：
  名称：

  破坏 p53/HDM2 相互作用的基于三联苯的螺旋模拟物。

  摘要：

  DOI：

  10.1002/anie.200462316
• 作为产物：
  描述：

  2-(4-甲氧基-3-甲基苯基)乙醇 在 三溴化磷 作用下， 以 四氯化碳 、 乙醇 为溶剂， 生成 3-(4-methoxy-3-methylphenyl)propanenitrile
  参考文献：
  名称：

  Nasipuri,D.; Roy,D.N., Journal of the Indian Chemical Society, 1963, vol. 40, # 5, p. 327 - 338

  摘要：

  DOI：

文献信息

• 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them
  申请人：Peglion Jean-Louis

  公开号：US20090069296A1

  公开（公告）日：2009-03-12

  Compounds of formula (I): wherein: R 1 represents a hydrogen atom or a group selected from cycloalkyl, benzyl and optionally substituted alkyl, R 2 , R 3 , R 4 and R 5 each represent a hydrogen atom or a hydroxy, methyl, —OSO 2 R 10 , —OCOR 10 or optionally substituted alkoxy group, or R 2 and R 3 , or R 3 and R 4 , or R 4 and R 5 together form a group —O—(CH 2 ) q —O—, —O—CH═CH—O— or —O—CH═CH—, R 6 , R 7 , R 8 and R 9 each represent a hydrogen atom or an alkoxy group, or R 6 and R 7 , or R 7 and R 8 , or R 8 and R 9 together form a group —O—(CH 2 ) q —O—-, R 10 represents a group selected from linear or branched C 1 -C 6 alkoxy, NR 11 R′ 11 and optionally substituted alkyl, R 11 and R′ 11 each represent a hydrogen atom or an alkyl group, or R 11 and R′ 1 together with the nitrogen atom carrying them form an optionally substituted, monocyclic or bicyclic, nitrogen-containing heterocycle, X represents O, NH or CH 2 , m and p each represent 0 or 1, n and q each represent 1 or 2, in racemic form or in the form of optical isomers,and also addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in treating various pathologies.

  式（I）的化合物： 其中： R1代表氢原子或从环烷基、苄基和可选择地取代的烷基中选择的基团， R2、R3、R4和R5分别代表氢原子或羟基、甲基、—OSO2R10、—OCOR10或可选择地取代的烷氧基，或R2和R3，或R3和R4，或R4和R5一起形成一个基团—O—（CH2）q—O—，—O—CH═CH—O—或—O—CH═CH—， R6、R7、R8和R9分别代表氢原子或烷氧基，或R6和R7，或R7和R8，或R8和R9一起形成一个基团—O—（CH2）q—O—-， R10代表从线性或支链C1-C6烷氧基、NR11R′11和可选择地取代的烷基中选择的基团， R11和R′11分别代表氢原子或烷基基团，或R11和R′1与携带它们的氮原子一起形成一个可选择地取代的、单环或双环、含氮杂环， X代表O、NH或CH2， m和p各自代表0或1， n和q各自代表1或2， 以外消旋形式或光学异构体形式，以及其与药学上可接受的酸的加合盐。 含有这些化合物的药物，对治疗各种病理有用。
• Low-Valent Titanium Induced Reductive Cyclization of Nitriles to Symmetrically Substituted Tetraalkylpyrazines
  作者：Wei-xing Chen、Jun-hu Zhang、Ming-yang Hu、Xiao-chun Wang

  DOI：10.1055/s-1990-26987

  日期：——

  Reductive cyclization of nitriles 1 induced by titanium tetrachloride/zinc provides an efficient general synthesis of symmetrically substituted tetraalkylpyrazines 2.

  四氯化钛/锌诱导的氰基1的还原环化作用，为对称取代的四烷基吡嗪2提供了一种高效通用的合成方法。
• Carbon-carbon cyanoethylation of anisole and its derivatives
  作者：Amareshwar Chatterjee、B.G. Hazra

  DOI：10.1016/0040-4020(77)80388-8

  日期：1977.1

  Cyanoethylations of o-cresyl methyl ether, anisole, α-naphthyl methyl ether, resorcinol dimethyl ether, and 1,7-dimethoxynaphthalene provided the desired products in reasonably good yields: synthetic applications are indicated.

  邻-甲苯基甲基醚，茴香醚，α-萘甲基醚，间苯二酚二甲基醚和1,7-二甲氧基萘的氰乙基化提供了所需产物，收率相当好：已表明了其合成用途。
• 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them
  申请人：Les Laboratoires Servier

  公开号：US08076325B2

  公开（公告）日：2011-12-13

  Compounds of formula (I): wherein: R1 represents a hydrogen atom or a group selected from cycloalkyl, benzyl and optionally substituted alkyl, R2, R3, R4 and R5 each represent a hydrogen atom or a hydroxy, methyl, —OSO2R10, —OCOR10 or optionally substituted alkoxy group, or R2 and R3, or R3 and R4, or R4 and R5 together form a group —O—(CH2)q—O—, —O—CH═CH—O— or —O—CH═CH—, R6, R7, R8 and R9 each represent a hydrogen atom or an alkoxy group, or R6 and R7, or R7 and R8, or R8 and R9 together form a group —O—(CH2)q—O—, R10 represents a group selected from linear or branched C1-C6alkoxy, NR11R′11 and optionally substituted alkyl, R11 and R′11 each represent a hydrogen atom or an alkyl group, or R11 and R′11 together with the nitrogen atom carrying them form an optionally substituted, monocyclic or bicyclic, nitrogen-containing heterocycle, X represents O, NH or CH2, m and p each represent 0 or 1, n and q each represent 1 or 2, in racemic form or in the form of optical isomers, and also addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in treating various pathologies.

  化合物的式子（I）：其中：R1代表氢原子或从环烷基，苄基和可选取代烷基中选择的基团，R2，R3，R4和R5分别代表氢原子或羟基，甲基，-OSO2R10，-OCOR10或可选取代的烷氧基团，或R2和R3，或R3和R4，或R4和R5一起形成-O-（CH2）q-O-，-O-CH = CH-O-或-O-CH = CH-的基团，R6，R7，R8和R9分别代表氢原子或烷氧基团，或R6和R7，或R7和R8，或R8和R9一起形成-O-（CH2）q-O-的基团，R10代表从线性或支链C1-C6烷氧基，NR11R'11和可选取代烷基中选择的基团，R11和R'11分别代表氢原子或烷基，或R11和R'11与携带它们的氮原子一起形成可选取代的单环或双环含氮杂环，X代表O，NH或CH2，m和p分别代表0或1，n和q分别代表1或2，以外消旋形式或光学异构体形式存在，并且与药学上可接受的酸形成的加成盐。含有该化合物的药物在治疗各种病理方面有用。
• CHEN, WEI-XING;ZHANG, JUN-HU;HU, MING-YANG;WANG, XIAO-CHUN, SYNTHESIS,(1990) N, C. 701-702
  作者：CHEN, WEI-XING、ZHANG, JUN-HU、HU, MING-YANG、WANG, XIAO-CHUN

  DOI：——

  日期：——