1-((Aminocyclohexyl)ethynyl)cyclohexanol | 94529-36-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-((Aminocyclohexyl)ethynyl)cyclohexanol
• 英文别名: 1-[(1-Aminocyclohexyl)ethynyl]cyclohexan-1-ol；1-[2-(1-aminocyclohexyl)ethynyl]cyclohexan-1-ol
• CAS: 94529-36-9
• 化学式: C₁₄H₂₃NO
• 分子量: 221.343
• InChiKey: AYWRRVQMQYWUNM-UHFFFAOYSA-N

物化性质

• 熔点：
  121-122 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  351.9±35.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-((Aminocyclohexyl)ethynyl)cyclohexanol 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 1.33h， 以20 g的产率得到1-(2-(1-Aminocyclohexyl)ethyl)cyclohexanol
  参考文献：
  名称：

  Wagner, E. R.; Matthews, D. P., Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1289 - 1291

  摘要：

  DOI：
• 作为产物：
  描述：

  环己酮 、 1-乙炔基环己基胺 在 正丁基锂 作用下， 生成 1-((Aminocyclohexyl)ethynyl)cyclohexanol
  参考文献：
  名称：

  Wagner, E. R.; Matthews, D. P., Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1289 - 1291

  摘要：

  DOI：

文献信息

• Platin(0)‐Komplexe mit amino‐substituierten Alkinen: Neue Metallorganische Bausteine für supramolekulare Architekturen und „Kristall‐Engineering”︁
  作者：Dirk Walther、Kirstin Heubach、Lars Böttcher、Heike Schreer、Helmar Görls

  DOI：10.1002/1521-3749(200201)628:1<20::aid-zaac20>3.0.co;2-#

  日期：2002.1

  Homoleptic Bis(alkyne)platinum(0) compounds containing either NH2- or NH2-/OH-substituents are formed by reaction of Pt(cod)(2) with alkynes as stable compounds. They can be used as variable building blocks for supramolecular networks. The crystal structure analyses of Bis(2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne)platinum(0) (1) and of Bis(l(3-amino-3-methyl-but-l-inyl)-cyclohexane-l-ol)platinum(0) (2) exhibit that the low-valent Pt atom is tetrahedrally surrounded by the four sp-hybridizated carbonatoms of the alkynes. Despite the fact that the bond lengths and -angles of the PtC4 units are equal, the supramolecular structures are different. While in 1 polymer strands are formed in which the bis(alkyne)-Pt-0 units are connected by (OH)(2)(NH2)(2)- tetrahedrons, 2 yields only a dimer containing a network of four OH- and two NH2-groups. Platinum(0) complexes with cationic alkynes bearing ammonium substituents can be isolated as thermal stable compounds. The X-ray structures of [C(FH+)Pt(cod)](4) (8) reveals that four molecular units form a cube with both four NH3+ groups and Cl- at the corners connected by hydrogen bridges. In the bis(alkyne)Pt-0 complex [Cl-1.5(FH+)(1.5)(F)(0.5)Pt] (9) only 1.33 of two NH2 groups are protonated and a hydrogen bridged network connects four bis(alkyne)Pt-0 units (cod: cycloocta-1.5-diene, F: 1-(trimethylsilylethinyl)-1-amino-cyclohexane).
• WAGNER, E. R.;MATTHEWS, D. P., J. HETEROCYCL. CHEM., 1984, 21, N 5, 1289-1291
  作者：WAGNER, E. R.、MATTHEWS, D. P.

  DOI：——

  日期：——
• Wagner, E. R.; Matthews, D. P., Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1289 - 1291
  作者：Wagner, E. R.、Matthews, D. P.

  DOI：——

  日期：——