N-(1-丙基环己基)-乙酰胺 | 100049-35-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(1-丙基环己基)-乙酰胺
• 英文名称: N-(1-propyl-cyclohexyl)-acetamide
• 英文别名: N-(1-Propyl-cyclohexyl)-acetamid；N-(1-propylcyclohexyl)acetamide；1-Acetamido-1-propylcyclohexane
• CAS: 100049-35-2
• 化学式: C₁₁H₂₁NO
• 分子量: 183.294
• InChiKey: CODZLFPNPMUXQD-UHFFFAOYSA-N

物化性质

• 熔点：
  69-70 °C
• 沸点：
  319.0±9.0 °C(Predicted)
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(1-丙基环己基)-乙酰胺 在 lithium aluminium tetrahydride 作用下， 生成 ethyl-(1-propyl-cyclohexyl)-amine
  参考文献：
  名称：

  Kotschetkow et al., Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3620,3622;engl.Ausg.S.3581,3583

  摘要：

  DOI：
• 作为产物：
  描述：

  1-正丙基环己醇 、 乙腈 在 硫酸 、 溶剂黄146 作用下， 生成 N-(1-丙基环己基)-乙酰胺
  参考文献：
  名称：

  Bifunctional even-electron ions. V. Fragmentation behaviour of aliphatic hydroxonium ions containing an additional cyano group

  摘要：

  AbstractThe fragmentation behaviour of a series of bifunctional hydroxonium ions C2H5C(\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + {\rm H} $\end{document})(CH2)n‐CN (n = 0‐6), a n, has been investigated by electron impact mass spectrometry. The type of interaction‐induced reactions depend strongly on the chain distance between the oxonium and the cyano moiety, but the initial step in all cases is proton transfer from the hydroxy to the cyano group. The following selective primary fragmentations have been found: loss of C  NH (HCN) from a 0, loss of CH2,  C  NH from a 1, loss of HNCO from a 2‐a 4, loss of CH3CHC  O from a 4‐a 6, and loss of CO from a3. In addition, loss of NH3 and H2O, respectively, are observed as general fragmentations, except for the lowest homologues (a 0 and a 1). Mechanistic pathways of the selective reactions have been deduced with the aid of metastable ion spectra, high resolution, deuterium labelling and comparison of metastable ion spectra with those of independently generated ions.

  DOI：

  10.1002/oms.1210240908

文献信息

• Hydroxyethylamine derivatives for the treatment of alzheimer's disease
  申请人：Demont H Emmanuel

  公开号：US20060025459A1

  公开（公告）日：2006-02-02

  The present invention relates to novel hydroxyethylamine compounds having Asp2 (β-secretase, BACE1 or Memapsin) inhibitory activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated β-amyloid levels or β-amyloid deposits, particularly Alzheimer's disease.

  本发明涉及具有Asp2（β-秘鲁酶、BACE1或Memapsin）抑制活性的新型羟乙基胺化合物，其制备方法，包含它们的组合物以及它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积物所特征的疾病，特别是阿尔茨海默病中的应用。
• HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：GLAXO GROUP LIMITED

  公开号：EP1567488B1

  公开（公告）日：2007-02-21
• US7253198B2
  申请人：——

  公开号：US7253198B2

  公开（公告）日：2007-08-07
• Kotschetkow et al., Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3620,3622;engl.Ausg.S.3581,3583
  作者：Kotschetkow et al.

  DOI：——

  日期：——
• Bifunctional even-electron ions. V. Fragmentation behaviour of aliphatic hydroxonium ions containing an additional cyano group
  作者：U. I. Záhorszky、P. Schulze

  DOI：10.1002/oms.1210240908

  日期：1989.9

  AbstractThe fragmentation behaviour of a series of bifunctional hydroxonium ions C2H5C(\documentclassarticle}\pagestyleempty}\begindocument}$ \mathop \rm O}\limits^ + \rm H} $\enddocument})(CH2)n‐CN (n = 0‐6), a n, has been investigated by electron impact mass spectrometry. The type of interaction‐induced reactions depend strongly on the chain distance between the oxonium and the cyano moiety, but the initial step in all cases is proton transfer from the hydroxy to the cyano group. The following selective primary fragmentations have been found: loss of C  NH (HCN) from a 0, loss of CH2,  C  NH from a 1, loss of HNCO from a 2‐a 4, loss of CH3CHC  O from a 4‐a 6, and loss of CO from a3. In addition, loss of NH3 and H2O, respectively, are observed as general fragmentations, except for the lowest homologues (a 0 and a 1). Mechanistic pathways of the selective reactions have been deduced with the aid of metastable ion spectra, high resolution, deuterium labelling and comparison of metastable ion spectra with those of independently generated ions.