2-氨基-2-乙基己腈 | 58577-05-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氨基-2-乙基己腈
• 英文名称: 3-amino-3-cyanoheptane
• 英文别名: 2-amino-2-ethylhexanonitrile；2-Amino-2-ethylhexanenitrile
• CAS: 58577-05-2
• 化学式: C₈H₁₆N₂
• 分子量: 140.228
• InChiKey: MSVRGJUYHVLBGN-UHFFFAOYSA-N

物化性质

• 沸点：
  218.1±23.0 °C(Predicted)
• 密度：
  0.889±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氨基-2-乙基己腈 在 盐酸 、 硫酸 作用下， 反应 24.0h， 生成 2-氨基-2-乙基己酸乙酯
  参考文献：
  名称：

  The First Fully Planar C ₅ ‐Conformation of Homooligopeptides Prepared from a Chiral α ‐Ethylated α , α ‐Disubstituted Amino Acid: ( S )‐Butylethylglycine (=(2 S )‐2‐Amino‐2‐ethylhexanoic Acid)

  摘要：

  An optically active alpha -ethylated alpha,alpha -disubstituted amino acid, (S)-butylethylglycine (= (2S)-2-amino-2-ethylhexanoic acid; (S)-Beg; (S)-2),was prepared starring from butyl ethyl ketone (1) by the Strecker method and enzymatic kinetic resolution of the racemic amino acid. Homooligopeptides containing (S)-Beg (up to hexapeptide) were synthesized by conventional solution methods. An ethyl cater was used for the protection at the C-terminus, and a trifluoroacetyl group was used for the N-terminus of the peptides. Thr structures of tri- and tetrapeptides 5 and 6 in the solid state were solved by X-ray crystallographic analysis, and were shown to have a bent planar C-conformation (tripeptide) and a fully planar C-5-conformation (tetrapeptide) (see Figs. I and 2, resp.). The IR and H-1-NMR spectra of hexapeptide 8 revealed that the dominant conformation in CDCl3, solution was also a fully planar C-5-conformation, These results show for the first time that the preferred conformation of homopeptides containing a chiral alpha -ethylated alpha,alpha -disubstituted amino acid is a planar C-5-conformation.

  DOI：

  10.1002/1522-2675(20001004)83:10<2823::aid-hlca2823>3.0.co;2-#
• 作为产物：
  描述：

  氢氰酸 、 3-庚酮 在 氨 作用下， 生成 2-氨基-2-乙基己腈
  参考文献：
  名称：

  Process for the preparation of (schiff bases of)alpha-alkyl-alpha-amino acid amides

  摘要：

  公开号：

  EP1172354B1

文献信息

• Process for the preparation of (schiff bases of) alpha-alkyl-alpha-amino acid amides
  申请人：——

  公开号：US20020072634A1

  公开（公告）日：2002-06-13

  Process for the preparation of a Schiff base of an &agr;-alkyl-&agr;-amino acid amide and an aldehyde, wherein the corresponding &agr;-aminonitrile is contacted with a base and the aldehyde and wherein it is ensured that the reagents are in good contact. The Schiff base obtained may be further hydrolysed to form the &agr;-alkyl-&agr;-amino acid amide and the aldehyde. Preferably a substituted or unsubstituted benzaldehyde is used as the aldehyde. The reaction is preferably carried out in a practically homogeneously mixed phase obtained by using a solvent, for example methanol or ethanol. Preferably NaOH or KOH is used as the base.

  制备&agr;-烷基-&agr;-氨基酸酰胺和醛的希夫碱的工艺，其中相应的&agr;-氨基腈与碱和醛接触，并确保试剂接触良好。得到的希夫碱可进一步水解形成&agr;-烷基-&agr;-氨基酸酰胺和醛。 醛最好使用取代或未取代的苯甲醛。反应最好在使用溶剂（如甲醇或乙醇）得到的几乎均匀混合相中进行。碱最好使用 NaOH 或 KOH。
• Synthesis of Primary 1,2-Diamines by Hydrogenation of α-Aminonitriles¹
  作者：Morris Freifelder、Richard B. Hasbrouck

  DOI：10.1021/ja01488a049

  日期：1960.2
• US3987025A
  申请人：——

  公开号：US3987025A

  公开（公告）日：1976-10-19
• US4028345A
  申请人：——

  公开号：US4028345A

  公开（公告）日：1977-06-07
• US4061590A
  申请人：——

  公开号：US4061590A

  公开（公告）日：1977-12-06