2-乙炔基环己胺 | 959918-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-乙炔基环己胺
• 英文名称: 2-ethynylpiperidine
• CAS: 959918-17-3
• 化学式: C₇H₁₁N
• 分子量: 109.171
• InChiKey: FOWKJWIPJPYKKW-UHFFFAOYSA-N

物化性质

• 沸点：
  143.8±29.0 °C(Predicted)
• 密度：
  0.91±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-乙炔基环己胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 N-(7-((1-acetylpiperidin-2-yl)ethynyl)-3-amino-4-(2-chloro-5-fluorophenoxy)-1-methyl-1H-indazol-5-yl)-3-fluoro-5-(trifluoromethyl)benzamide
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME INHIBITEURS DE PI3KΑ

  摘要：

  The present application provides heterocyclic compounds of formula (I) that modulate the activity of the PI3Ka, which are useful in the treatment of various diseases, including cancer.

  公开号：

  WO2023239846A1
• 作为产物：
  描述：

  oxalic acid;trimethyl(2-piperidin-2-ylethynyl)silane 生成 2-乙炔基环己胺
  参考文献：
  名称：

  LUNDKVIST, J. R. MICHAEL;VARGAS, HUGO M.;CALDIROLA, PATRIZIA;RINGDAHL, BJ+, J. MED. CHEM., 33,(1990) N2, C. 3182-3189

  摘要：

  DOI：

文献信息

• One-Pot Synthesis of 4-Sulfonyliminotetrahydropyrimidin-2-one Derivatives through a Copper-Catalyzed Tandem Reaction
  作者：Tao Tong、Xin Wu、Erfei Li、Honglan Kang、Xiaoxia Wang、Xin Lv

  DOI：10.1021/acs.joc.8b02642

  日期：2018.12.21

  A novel and efficient synthesis of 4-iminotetrahydropyrimidin-2-one derivatives was developed through a Cu(I)-catalyzed three-component tandem reaction employing propargylamines, isocyanates, and sulfonyl azides as starting materials. A wide range of polysubstituted 4-sulfonyliminotetrahydropyrimidin-2-ones, which might be useful in biological chemistry and medicinal science, were conveniently and

  通过使用炔丙基胺，异氰酸酯和磺酰基叠氮化物为原料的Cu（I）催化的三组分串联反应，开发了4-亚氨基四氢嘧啶-2-酮衍生物的新型有效合成方法。在一个罐子中方便有效地组装了多种可能在生物化学和医学科学中使用的多取代的4-磺酰氨基四氢嘧啶-2-酮。
• [EN] PIPERIDINYL ALKYNE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES PIPÉRIDINYL ALCYNES DE RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013062857A1

  公开（公告）日：2013-05-02

  The present invention is directed to piperidinyl alkyne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the piperidinyl alkyne compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对脑垂体素受体拮抗剂的哌啶基炔化合物。本发明还涉及在治疗或预防神经和精神障碍以及涉及脑垂体素受体的疾病中使用本文所述的哌啶基炔化合物。本发明还涉及包含这些化合物的药物组合物。本发明还涉及在预防或治疗涉及脑垂体素受体的疾病中使用这些药物组合物。
• Origins of Small Proton Chemical Shift Differences in Monodeuterated Methyl Groups
  作者：O. Maduka Ogba、Stuart J. Elliott、David A. Kolin、Lynda J. Brown、Sebastian Cevallos、Stuart Sawyer、Malcolm H. Levitt、Daniel J. O’Leary

  DOI：10.1021/acs.joc.7b01356

  日期：2017.9.1

  Polar and small substituents, however, increasingly prefer the axial position, and medium to small shift differences (i.e., 0 to 9 ppb) are observed. In addition, the diastereotopic CH2D proton chemical shift difference for tricarbonyl(1-chloro-2-deuteriomethylbenzene) chromium(0) was computed, showing that reasonable predictions of these small shift differences can be extended to more complex, organometallic

  我们最近表明，2-甲基-1-（甲基-d）哌啶中的小质子化学位移差异支持长寿命的核自旋态。为了鉴定具有表现出可及的长寿命状态的CH 2 D基团的其他候选分子，并研究控制位移差异幅度的因素，我们报告了在2种不同的条件下甲基旋转平衡和质子化学位移的计算和实验研究。 -取代的1-（甲基-d）哌啶。2-取代基的极性和大小影响1,2-立体异构关系，因此影响CH 2内旋转不对称的强度D组。非极性和较大的2个取代基更偏爱赤道位置，并且观察到相对较大的位移差异（即> 13 ppb）。但是，极性和小的取代基越来越喜欢轴向位置，并且观察到中等到小的位移差异（即0到9 ppb）。此外，计算了三羰基（1-氯-2-氘代甲基苯）铬（0）的非对映体CH 2 D质子化学位移差异，表明对这些小位移差异的合理预测可以扩展到更复杂的有机金属物种。
• BICYCLIC COMPOUND
  申请人：YASUMA TSUNEO

  公开号：US20120142714A1

  公开（公告）日：2012-06-07

  The present invention provides a compound having an ACC inhibitory action, which is useful as an agent for the prophylaxis or treatment of obesity, diabetes and the like, and having superior efficacy. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有ACC抑制作用的化合物，该化合物可用作预防或治疗肥胖症、糖尿病等疾病的药物，并具有优越的功效。本发明涉及一种由式(I)表示的化合物，其中每个符号如规范中定义的，或其盐。
• PIPERIDINYL ALKYNE OREXIN RECEPTOR ANTAGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140243368A1

  公开（公告）日：2014-08-28

  The present invention is directed to piperidinyl alkyne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the piperidinyl alkyne compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对荷尔蒙受体拮抗剂的哌啶基炔化合物。本发明还涉及使用本文描述的哌啶基炔化合物在治疗或预防神经和精神障碍和疾病方面的用途，其中荷尔蒙受体参与其中。本发明还涉及包含这些化合物的制药组合物。本发明还涉及使用这些制药组合物在预防或治疗荷尔蒙受体参与的这些疾病方面的用途。