morpholinomethyl cyclohexanone hydrochloride | 37408-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: morpholinomethyl cyclohexanone hydrochloride
• 英文别名: 2-morpholinomethyl-cyclohexanone; hydrochloride；2-Morpholinomethyl-cyclohexanon; Hydrochlorid；hydron;2-(morpholin-4-ylmethyl)cyclohexan-1-one;chloride
• CAS: 37408-97-2
• 化学式: C₁₁H₁₉NO₂*ClH
• 分子量: 233.738
• InChiKey: QKVBPNBPALPVHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  morpholinomethyl cyclohexanone hydrochloride 在 乙腈 作用下， 以 水 为溶剂， 反应 24.0h， 生成 (4aRS,5aRS,9aRS,11aRS)-perhydro-5a,11a-epoxydibenz[b,f]oxepin-4a-ol
  参考文献：
  名称：

  10,16-Dioxatetracyclo[7.6.1.0^1,11.0^4,9]hexadecan-11-ol

  摘要：

  The crystal structure of the title compound, C14H22O3, consists of independent molecules in each of which three six-membered rings and a five-membered ring are fused together. All the six-membered rings display chair conformations, while the five-membered ring has an envelope conformation. The molecular dimensions are normal with mean bond distances C-sp3-C-sp3 1.523(10) and C-sp3-O 1.44(2) Angstrom. Pairs of molecules lying about inversion centers are linked by O-H ... O hydrogen bonds [O ... O 2.806 (3) Angstrom].

  DOI：

  10.1107/s0108270198003849
• 作为产物：
  描述：

  聚合甲醛 、 吗啡啉盐酸盐 、 环己酮 在 溶剂黄146 作用下， 反应 3.0h， 以48%的产率得到morpholinomethyl cyclohexanone hydrochloride
  参考文献：
  名称：

  Dimmock; Chamankhah; Seniuk, Pharmazie, 1995, vol. 50, # 10, p. 668 - 671

  摘要：

  DOI：

文献信息

• Synthesis of pyrimidinethiones and spiropyrans proceeding from Mannich ketones
  作者：M. P. Shchekina、R. S. Tumskii、I. N. Klochkova、A. A. Anis’kov

  DOI：10.1134/s107042801702021x

  日期：2017.2

  β-aminoketones were revealed consisting in heterocyclization reactions with the formation of spirochromenes and hydropyrimidinethiones. Alicyclic conjugated Mannich bases under conditions of basic catalysis suffer deamination followed by [4+2]-cycloaddition leading to the stereo- and regiodirected formation of difficultly available spirochromene derivatives. Three-component condensation of acyclic and alicyclic

  揭示了新的合成的共轭和饱和β-氨基酮的机会，包括杂环反应和螺环色酮和氢嘧啶硫酮的形成。在碱性催化条件下，脂环族共轭曼尼希碱会发生脱氨基反应，然后进行[4 + 2]-环加成反应，导致立体和区域定向形成难于获得的螺环色素衍生物。在非质子酸催化下，无环和脂环曼尼希酮与硫脲和芳族醛的三组分缩合反应可得到嘧啶-2-硫酮系列的官能化衍生物。发现了β-氨基羰基底物的О，N-杂环化的最佳条件。
• Husain, Shaheen A.; Sarfaraz, Tahira B.; Murtaza, Najma, Pakistan Journal of Scientific and Industrial Research, 2000, vol. 43, # 3, p. 180 - 183
  作者：Husain, Shaheen A.、Sarfaraz, Tahira B.、Murtaza, Najma、Sultana, Naheed

  DOI：——

  日期：——
• Dimmock; Chamankhah; Seniuk, Pharmazie, 1995, vol. 50, # 10, p. 668 - 671
  作者：Dimmock、Chamankhah、Seniuk、Allen、Kao、Halleran

  DOI：——

  日期：——
• 10,16-Dioxatetracyclo[7.6.1.0^1,11.0^4,9]hexadecan-11-ol
  作者：M. Parvez、N. Sultana、T. B. Sarfaraz、S. A. Husain

  DOI：10.1107/s0108270198003849

  日期：1998.9.15

  The crystal structure of the title compound, C14H22O3, consists of independent molecules in each of which three six-membered rings and a five-membered ring are fused together. All the six-membered rings display chair conformations, while the five-membered ring has an envelope conformation. The molecular dimensions are normal with mean bond distances C-sp3-C-sp3 1.523(10) and C-sp3-O 1.44(2) Angstrom. Pairs of molecules lying about inversion centers are linked by O-H ... O hydrogen bonds [O ... O 2.806 (3) Angstrom].