1-(3,3-dimethylbut-1-en-2-yl)piperidine | 62141-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(3,3-dimethylbut-1-en-2-yl)piperidine
• 英文别名: 3,3-Dimethyl-2-piperidino-but-1-en；1-(1-tert-butyl-vinyl)-piperidine
• CAS: 62141-55-3
• 化学式: C₁₁H₂₁N
• 分子量: 167.294
• InChiKey: JBNGBGUZQWDQBL-UHFFFAOYSA-N

物化性质

• 沸点：
  232.2±7.0 °C(Predicted)
• 密度：
  0.868±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  氯 2,3,4,6-四-O-苄基-|á-D-吡喃葡萄糖苷 、 1-(3,3-dimethylbut-1-en-2-yl)piperidine 在 3 A molecular sieve 、 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以40%的产率得到3,3-Dimethyl-1-(2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl)-2-butanon
  参考文献：
  名称：

  通过烯胺有效地β-酮酸酯和酮的C-葡萄糖苷化

  摘要：

  通过相应的烯胺与银活化的2,3,4,6-四-O-苄基-α- D-吡喃葡糖酰氯的反应合成β-酮酯和酮的α- C-葡萄糖苷的途径I）描述了三氟甲磺酸酯。

  DOI：

  10.1039/c39880000057
• 作为产物：
  描述：

  2,2-dimethyl-3-nitrosobutane 在 硫酸 、 1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea 、 sodium nitrite 作用下， 以 乙醚 、 水 为溶剂， 反应 24.0h， 生成 1-(3,3-dimethylbut-1-en-2-yl)piperidine
  参考文献：
  名称：

  Urea Activation of Nitrimines: A Mild, Metal-Free Approach to Sterically Hindered Enamines

  摘要：

  Nitrimines have been identified as impressive starting points for the syntheses of otherwise inaccessible, sterically encumbered enamines. The activation of nitrimines with urea catalysts for reaction with a variety of amines enables the formation of highly substituted enamines in high yield. The reactions benefit from mild, metal-free conditions, high functional group tolerance, and straightforward scale up.

  DOI：

  10.1021/ol402310b

文献信息

• ARBOVIRUS INHIBITORS AND USES THEREOF
  申请人：Larsen Scott

  公开号：US20120252807A1

  公开（公告）日：2012-10-04

  The present invention relates to chemical compounds, methods for their discovery, and their therapeutic use. In particular, the present invention provides compounds as inhibitors of arboviruses.

  本发明涉及化学化合物、其发现方法以及其治疗用途。具体而言，本发明提供了作为虫媒病毒抑制剂的化合物。
• Radiolabeled monoacylglycerol lipase occupancy probe
  申请人：LUNDBECK LA JOLLA RESEARCH CENTER, INC.

  公开号：US10463753B2

  公开（公告）日：2019-11-05

  Provided herein are monoacylglycerol lipase (MGLL) occupancy probes comprising a MGLL inhibitor containing a positron emission tomography (PET) tracer radionuclide. Also provided are methods of assessing MGLL enzyme occupancy of a MGLL inhibitor using the radiolabeled occupancy probes described herein.

  本文提供了单乙酰甘油脂肪酶（MGLL）占位探针，该探针由含有正电子发射断层扫描（PET）示踪放射性核素的 MGLL 抑制剂组成。还提供了使用本文所述的放射性标记占位探针评估 MGLL 抑制剂的 MGLL 酶占位的方法。
• Diastereoselective reactions of 1,1,1-trichloro(trifluoro)-3-nitrobut-2-enes with 2-morpholinoalk-1-enes
  作者：Vladislav Yu. Korotaev、Alexey Yu. Barkov、Pavel A. Slepukhin、Mikhail I. Kodess、Vyacheslav Ya. Sosnovskikh

  DOI：10.1016/j.mencom.2011.03.020

  日期：2011.3

  Reactions of (E)-1,1,1-trichloro(trifluoro)-3-nitrobut-2-enes with 3,3-dimethyl-2-morpholinobutene in benzene give (4R*,6R*)-6-tert-butyl-3-methyl-6-morpholino-4-trihalomethyl-5,6-dihydro-4H-1,2-oxazine 2-oxides. In a dichloromethane solution, these cyclic nitronates undergo diastereoselective ring opening to produce nitroalkylated anti-CCl3- and syn-CF3-enamines, which are hydrolysed with dilute HCl to afford the respective anti-CCl3- and syn-CF3-gamma-nitroketones.
• RADIOLABELED MONOACYLGLYCEROL LIPASE OCCUPANCY PROBE
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US20190046668A1

  公开（公告）日：2019-02-14

  Provided herein are monoacylglycerol lipase (MGLL) occupancy probes comprising a MGLL inhibitor containing a positron emission tomography (PET) tracer radionuclide. Also provided are methods of assessing MGLL enzyme occupancy of a MGLL inhibitor using the radiolabeled occupancy probes described herein.
• ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS
  申请人：D. E. Shaw Research, LLC

  公开号：US20220411367A1

  公开（公告）日：2022-12-29

  A compound of Formula (I), or a pharmaceutically acceptable salt thereof, is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.