3-甲基己腈 | 53783-89-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-甲基己腈
• 英文名称: 1-cyano-2-methylpentane
• 英文别名: 3-methylhexanonitrile；3-Methyl-1-cyan-pentan；3-methyl-hexanenitrile；3-Methyl-hexannitril；3-Methylhexanenitrile
• CAS: 53783-89-4
• 化学式: C₇H₁₃N
• 分子量: 111.187
• InChiKey: JDVUMGUHKLDEQL-UHFFFAOYSA-N

物化性质

• 沸点：
  171-172 °C
• 密度：
  0.806±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  3-甲基己腈 在 盐酸 作用下， 生成 2-甲基己酰胺
  参考文献：
  名称：

  de Hoffmann; Barbier, Bulletin des Societes Chimiques Belges, 1936, vol. 45, p. 570

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 palladium on activated charcoal 、 乙醇 作用下， 生成 3-甲基己腈
  参考文献：
  名称：

  Chiang, Journal of the Chinese Chemical Society, 1951, vol. 18, p. 65,66,69

  摘要：

  DOI：

文献信息

• A new facile route to primary alkanenitriles from terminal alkenes via a hydroboration–cyanation sequence
  作者：Yuzuru Masuda、Masayuki Hoshi、Akira Arase

  DOI：10.1039/c39890000266

  日期：——

  Terminal alkenes are converted into one-carbon homologated primary alkanenitriles in high yields via hydroboration followed by a reaction with copper(I) cyanide, copper(II) acetate, and copper(II) acetylacetonate.

  末端烯烃被转换成一碳同系化以高产率初级alkanenitriles通过硼氢化反应，随后用铜（反应我），氰化铜（II），乙酸铜（II），乙酰丙酮。
• Novel pyrazinone derivatives
  申请人：——

  公开号：US20030203907A1

  公开（公告）日：2003-10-30

  The present invention relates to a compound of the general formula (I): 1 [Ar 1 is aryl fused to the adjacent pyrazinone ring at the 5th and 6th positions, etc., X is CO, etc., Y is CH, etc., Z is CH, etc., V is CH, etc., W n is —(CH 2 ) n — (n is zero to four), R 1 is H or optionally substituted lower alkyl, etc., R 2 is H, etc., R 3 and R 4 are the same or different and are each H, etc., R 5 and R 6 are the same or different and are each H, hydroxy, etc.] or a pharmaceutically acceptable salt or ester thereof; a pharmaceutical composition, an inhibitor of Cdk4 and/or Cdk6 or an anti-cancer agent, containing the same as an active ingredient; and a process for preparing them.

  本发明涉及一种通式(I)的化合物：1[Ar1是芳基，与相邻的吡唑酮环在第5和第6位置融合，等等，X是CO，等等，Y是CH，等等，Z是CH，等等，V是CH，等等，W是-(CH2)n-（n为零至四），R1是H或选择性取代的较低烷基，等等，R2是H，等等，R3和R4相同或不同，分别为H，等等，R5和R6相同或不同，分别为H，羟基，等等]或其药学上可接受的盐或酯；一种含有该化合物作为活性成分的制药组合物，Cdk4和/或Cdk6的抑制剂或抗癌剂；以及其制备方法。
• CATALYST FOR LIVING RADICAL POLYMERIZATION
  申请人：Goto Atsushi

  公开号：US20110275775A1

  公开（公告）日：2011-11-10

  Provided is a catalyst used for a living radical polymerization method, which contains a central element consisting of carbon and at least one halogen atom binding to the central element. Further, a hydrocarbon compound can be used as a catalyst precursor. A monomer having a radical-reactive unsaturated bond is subjected to a radical polymerization reaction in the presence of the catalyst, consequently a polymer having narrow molecular weight distribution can be obtained, and thus the cost of the living radical polymerization can be remarkably reduced. The present invention is significantly more environmentally friendly and economically excellent than conventional living radical polymerization methods, due to advantages such as low toxicity of the catalyst, low amount of the catalyst used, high solubility of the catalyst, mild reaction conditions, and no coloration/no odor (no need of any post-treatments for a molded article), and the like.

  提供的是用于活性自由基聚合方法的催化剂，其包含由碳组成的中心元素，并且至少有一个卤素原子与中心元素结合。此外，碳氢化合物可以用作催化剂前体。在催化剂存在的情况下，将具有自由基反应不饱和键的单体进行自由基聚合反应，因此可以获得具有窄分子量分布的聚合物，从而可以显着降低活性自由基聚合的成本。由于催化剂毒性低、使用量少、催化剂溶解性高、反应条件温和、成品无色无味（无需对成型物进行任何后处理）等优点，本发明比传统的活性自由基聚合方法在环保和经济方面更加优越。
• CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE
  申请人：Lee Wai Mun

  公开号：US20090130849A1

  公开（公告）日：2009-05-21

  A composition and associated method for chemical mechanical planarization (or other polishing) is described. The composition contains an amidoxime compound and water. The composition may also contain an abrasive and a compound with oxidation and reduction potential. The composition is useful for attaining improved removal rates for metal, including copper, barrier material, and dielectric layer materials in metal CMP. The composition is particularly useful in conjunction with the associated method for metal CMP applications.

  本文描述了一种化学机械平整化（或其他抛光）的组合物及其相关方法。该组合物含有一种酰胺肟化合物和水。该组合物还可以含有磨料和具有氧化还原潜力的化合物。该组合物可用于在金属CMP中获得改进的金属去除速率，包括铜、屏障材料和金属CMP中的介电层材料。该组合物在金属CMP应用的相关方法中特别有用。
• PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN
  申请人：Conway Brian G

  公开号：US20090247743A1

  公开（公告）日：2009-10-01

  Disclosed are materials and methods for preparing optically active β-amino acids of Formula 1, which bind to the alpha-2-delta (α2δ) subunit of a calcium channel.

  本发明涉及制备配方1的光学活性β-氨基酸的材料和方法，该配方1结合到钙通道的α2δ亚单位。