1-(1-(2-噻吩基)环己基)吗啉 | 21602-66-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-(1-(2-噻吩基)环己基)吗啉
• 英文名称: TCM
• 英文别名: 4-[1-(2-thienyl)cyclohexyl]morpholine；4-(1-thiophen-2-yl-cyclohexyl)-morpholine；4-(1-Thiophen-2-ylcyclohexyl)morpholine
• CAS: 21602-66-4
• 化学式: C₁₄H₂₁NOS
• 分子量: 251.393
• InChiKey: QBLUKXGKYQEPBB-UHFFFAOYSA-N

物化性质

• 熔点：
  60-61 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
• 沸点：
  351.9±27.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  40.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-噻吩基锂 、 1-(1-morpholinocyclohexyl)-1H-1,2,3-benzotriazole 以 四氢呋喃 、 乙醚 为溶剂， 反应 8.0h， 以0.64 g的产率得到1-(1-(2-噻吩基)环己基)吗啉
  参考文献：
  名称：

  基于酮的氨基烷基化制备叔烷基羧胺，炔丙基胺和α-杂芳基胺

  摘要：

  酮6a中-我被转化为它们的加合物benzotriazolylamine 8A -我无论是从相应的酮直接6A或通过烯胺7B -我。用格氏试剂，苯基乙炔化锂或杂芳基锂处理的加合物8a - i可得到叔烷基羧胺9a - h（47-61％），炔丙基胺10a - i（30-98％）和α-杂芳基胺11a - k（44- 85％）。

  DOI：

  10.1021/jo048541k

文献信息

• Carbon-13 nuclear magnetic resonance spectra of phenycyclidine analogs
  作者：G. A. Brine、E. E. Williams、K. G. Boldt、F. I. Carroll

  DOI：10.1002/jhet.5570160727

  日期：1979.11

  Natural abundance carbon-13 chemical shifts are reported for the hydrochloride salts of phencyclidine (1a) and sixteen analogs. The signals are assigned on the basis of chemical shift theory, SFORD multiplicities, signal intensities, and comparisons with model compounds. In addition to its forensic value, the data suggests that the solution conformations of the analogs are similar to that of phencyclidine

  报告了苯环利定（1a）和十六个类似物的盐酸盐的自然丰度碳13化学位移。根据化学位移理论，SFORD多重性，信号强度以及与模型化合物的比较来分配信号。除了其法医价值外，数据还表明类似物的溶液构象与盐酸苯环利定相似。
• Effect of lowered lipophilicity on the affinity of PCP analogues for the PCP receptor and the dopamine transporter
  作者：J Hamon、J Vignon、JM Kamenka

  DOI：10.1016/0223-5234(96)85170-1

  日期：1996.1

  Oxygen and sulphur atoms were introduced in the cyclohexyl and piperidinyl moieties of the basic structures 1-(1-phenylcyclohexyl)piperidine (PCP), 1-[1-(2-thienyl)cyclohexyl]piperidine (TCP), and 1-[1-(2-benzo[b]thiophenyl)cyclohexyl]pi (BTCP) to lower their global lipophilicity. The compounds obtained were tested comparatively for their affinity for the PCP receptor labelled with [H-3]TCP and for the dopamine (DA) transporter labelled with [H-3]BTCP. Lowering the global lipophilicity in PCP and TCP series is detrimental to the affinity and selectivity for the PCP receptor. In the BTCP series lowering of the global lipophilicity is less deleterious and may, on the contrary, be a useful way of increasing selectivity for the DA transporter in some instances.
• Mousseron,M. et al., Chimica Therapeutica, 1968, vol. 3, p. 241 - 246
  作者：Mousseron,M. et al.

  DOI：——

  日期：——

表征谱图