[1-(5-氟戊基)-1H-吲哚-3-基](4-甲基-1-萘基)甲酮 | 1354631-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: [1-(5-氟戊基)-1H-吲哚-3-基](4-甲基-1-萘基)甲酮
• 英文名称: (1-(5-Fluoropentyl)-1H-indol-3-yl)(4-methylnaphthalen-1-yl)methanone
• 英文别名: [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
• CAS: 1354631-24-5
• 化学式: C₂₅H₂₄FNO
• 分子量: 373.5
• InChiKey: IGBHZHCGWLHBAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Nuclear magnetic resonance implemented synthetic indole and indazole cannabinoid detection, identification, and quantification
  申请人：HOFSTRA UNIVERSITY

  公开号：US11085891B2

  公开（公告）日：2021-08-10

  The present invention provides a method for detecting synthetic indole and indazole cannabinoids in a sample known or suspected to contain a synthetic indole or indazole cannabinoid in the absence of chromatography. A deuterated solvent is added to the solid sample, creating a suspension. The synthetic cannabinoid is detected in the suspension by analysis of the sample NMR spectrum. When one-dimensional proton NMR is used, detection of a first peak between 8.00 and 8.50 ppm and a second peak between 4.00 and 4.40 ppm, indicates the presence of a synthetic indole or indazole cannabinoid. When two-dimensional Correlation Spectroscopy (COSY) NMR is used, detection of a first spot between 6.50 and 9.00 ppm and a second spot between 1.50 and 4.50 ppm indicates the presence of a synthetic indole or indazole cannabinoid.

  本发明提供了一种在不使用色谱法的情况下检测已知或怀疑含有合成吲哚或吲唑大麻素的样品中合成吲哚和吲唑大麻素的方法。向固体样品中加入氚代溶剂，形成悬浮液。通过分析样品的 NMR 光谱来检测悬浮液中的合成大麻素。使用一维质子核磁共振时，如果检测到 8.00 至 8.50 ppm 之间的第一个峰和 4.00 至 4.40 ppm 之间的第二个峰，则表明存在合成吲哚或吲唑大麻素。当使用二维相关光谱（COSY）核磁共振时，检测到 6.50 至 9.00 ppm 之间的第一个光斑和 1.50 至 4.50 ppm 之间的第二个光斑，表明存在合成吲哚或吲唑大麻素。
• NUCLEAR MAGNETIC RESONANCE BASED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION
  申请人：Hofstra University

  公开号：EP2989452B1

  公开（公告）日：2021-09-29
• NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION
  申请人：HOFSTRA UNIVERSITY

  公开号：US20160084779A1

  公开（公告）日：2016-03-24

  The present invention provides a method for detecting synthetic indole and indazole cannabinoids in a sample known or suspected to contain a synthetic indole or indazole cannabinoid. A deuterated solvent is added to the solid sample, creating a suspension. The suspension is mixed to release the cannabinoid from the solid sample. The suspension is subject to a NMR spectroscopy process to produce a sample NMR spectrum. The synthetic cannabinoid is detected in the suspension by analysis of the sample NMR spectrum. When one-dimensional proton NMR is used, detection of a first peak between 8.00 and 8.50 ppm and a second peak between 4.00 and 4.40 ppm, indicates the presence of a synthetic indole or indazole cannabinoid. When two-dimensional Correlation Spectroscopy (COSY) NMR is used, detection of a first spot between 6.50 and 9.00 ppm and a second spot between 1.50 and 4.50 ppm indicates the presence of a synthetic indole or indazole cannabinoid. The method is performed in the absence of chromatography and optionally, may be used to quantify the amount of synthetic cannabinoid.
• [EN] NUCLEAR MAGNETIC RESONANCE IMPLEMANTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DENTECTION, IDENTIFICATION, AND QUANTIFICATION<br/>[FR] DÉTECTION, IDENTIFICATION ET QUANTIFICATION DE CANNABINOÏDE D'INDAZOLE ET D'INDOLE SYNTHÉTIQUE IMPLÉMENTÉES PAR RÉSONANCE MAGNÉTIQUE NUCLÉAIRE
  申请人：HOFSTRA UNIVERSITY

  公开号：WO2014176542A1

  公开（公告）日：2014-10-30

  The present invention provides a method for detecting synthetic indole and indazole cannabinoids in a sample known or suspected to contain a synthetic indole or indazole cannabinoid. A deuterated solvent is added to the solid sample, creating a suspension. The suspension is mixed to release the cannabinoid from the solid sample. The suspension is subject to a NMR spectroscopy process to produce a sample NMR spectrum.