γ-Methoxy-β-methyl-butyronitril | 21589-41-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: γ-Methoxy-β-methyl-butyronitril
• 英文别名: 4-Methoxy-3-methylbutanenitrile；4-methoxy-3-methylbutanenitrile
• CAS: 21589-41-3
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: VRBJWDHAZDMZEG-UHFFFAOYSA-N

物化性质

• 沸点：
  182.0±23.0 °C(Predicted)
• 密度：
  0.886±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲基巴豆腈 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 生成 γ-Methoxy-β-methyl-butyronitril
  参考文献：
  名称：

  Regulators of cell division in plant tissues. VII. The synthesis of zeatin and related 6-substituted purines

  摘要：

  6-(4-羟基-3-甲基丁-反式-2-烯氨基)嘌呤 (一种从玉米中分离出来的细胞分裂素--玉米素（zeatin）是通过一种新方法合成的。β-甲基巴豆腈与 N-溴代丁二酰亚胺进行溴化反应 生成γ-溴-β-甲基巴豆腈、 由此制备出反式-γ-乙酰氧基-β-甲基巴豆腈。 制得。由这种乙酸酯衍生的醇被转化为 反式-β-甲基-γ-(四氢吡喃-2-氧基)巴豆腈。还原和酸水解得到 4-amino-2- methylbut-trans-2-en-1-ol 与 6-氯嘌呤发生反应。 与 6-氯嘌呤反应生成玉米素。制备出了几种γ-烷氧基-β-甲基巴豆硝酸酯，并用氯化铝-硫酸铝还原了它们。 氯化铝-氢化铝锂还原成相应的不饱和胺。 胺。在这些还原反应中也会形成饱和腈。制备的胺 胺与 6-氯嘌呤缩合，生成一系列 O-烷基玉米素。 此外，还合成了其他一些玉米素类似物。两种 在碘的存在下，硼氢化钠将两个 6-甲氧基烷基氨基嘌呤裂解为 6-羟基嘌呤。 在碘存在下，两种 6-甲氧基烷基氨基嘌呤被硼氢化钠裂解为 6-羟基烷基氨基嘌呤。

  DOI：

  10.1071/ch9690205

文献信息

• Substituted piperidines as therapeutic compounds
  申请人：Speedel Experimenta AG

  公开号：EP2018862A1

  公开（公告）日：2009-01-28

  Described are compounds of the general formula (I) and pharmaceutically acceptable salt thereof, in which R2, R3, W,and X have the definitions illustrated in detail in the description, as beta-secretase, cathepsin D, plasmepsin II and/or HIV protease inhibitors.

  描述了一般式（I）的化合物及其药用可接受的盐，其中R2、R3、W和X的定义在描述中详细说明，作为β-分泌酶、半胱氨酸蛋白酶D、质体蛋白酶II和/或HIV蛋白酶抑制剂。
• SUBSTITUTED 4-PHENYLPIPERIDINES
  申请人：Herold Peter

  公开号：US20090029981A1

  公开（公告）日：2009-01-29

  The application relates to substituted 4-phenylpiperidines of the general formula and their salts, preferably their pharmaceutically acceptable salts, in which R 2 , R 3 , W and X have the meanings explained in the description, a process for their preparation and the use of these compounds as medicines, especially as renin inhibitors.

  该申请涉及通式中的取代的4-苯基哌啶及其盐，优选其药学上可接受的盐，其中R2、R3、W和X的含义在说明中解释，以及它们的制备方法和这些化合物作为药物的用途，特别是作为肾素抑制剂。
• NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF
  申请人：CellMosaic, Inc.

  公开号：US20140206903A1

  公开（公告）日：2014-07-24

  The invention provides novel chemical entities based on sugar alcohols. These new chemical entities are biocompatible and biodegradable. The molecules can be made in a single and pure form. The molecular weights of these molecules range from small (<1000 Da) to large (1000-120,000 Da). The sugar alcohol-based molecules can have functional groups throughout the molecule for crosslinking compounds, such as the preparation of antibody-drug conjugates, or to facilitate the delivery of therapeutic proteins, peptides, siRNA, and chemotherapeutic drugs. Also provided are new conjugate entities prepared through sugar alcohol molecules. Methods of synthesizing sugar alcohol-based molecules and conjugates are also within the scope of the invention.

  本发明提供了基于糖醇的新型化合物。这些新型化合物具有生物相容性和生物可降解性。这些分子可以以单一纯形式制备。这些分子的分子量范围从小分子（<1000 Da）到大分子（1000-120,000 Da）。基于糖醇的分子可以在整个分子中具有功能性基团，用于交联化合物，例如制备抗体药物偶联物，或促进治疗性蛋白质、肽、siRNA和化学治疗药物的传递。还提供了通过糖醇分子制备的新型偶联实体。本发明还涉及制备基于糖醇的分子和偶联物的方法。
• Reduction of .alpha.,.beta.-unsaturated nitriles with a copper hydride complex
  作者：Morey E. Osborn、James F. Pegues、Leo A. Paquette

  DOI：10.1021/jo01289a035

  日期：1980.1
• NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF
  申请人：CellMosaic, Inc.

  公开号：US20170065726A1

  公开（公告）日：2017-03-09

  The invention provides novel chemical entities based on sugar alcohols. These new chemical entities are biocompatible and biodegradable. The molecules can be made in a single and pure form. The molecular weights of these molecules range from small (<1000 Da) to large (1000-120,000 Da). The sugar alcohol-based molecules can have functional groups throughout the molecule for crosslinking compounds, such as the preparation of antibody-drug conjugates, or to facilitate the delivery of therapeutic proteins, peptides, siRNA, and chemotherapeutic drugs. Also provided are new conjugate entities prepared through sugar alcohol molecules. Methods of synthesizing sugar alcohol-based molecules and conjugates are also within the scope of the invention.