去甲氟苯丙胺 | 1886-26-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 去甲氟苯丙胺
• 英文名称: norfenfluramine
• 英文别名: 1-(3-trifluoromethylphenyl)-2-amino propane；1-methyl-2-<3-(trifluoromethyl)phenyl>ethylamine；(+/-)-[1-(3-trifluoromethyl)phenyl]-2-propylamine；(±)-norfenfluramine；(+/-)-norfenfluramine；1-[3-(trifluoromethyl)phenyl]propan-2-amine
• CAS: 1886-26-6
• 化学式: C₁₀H₁₂F₃N
• mdl: MFCD00871809
• 分子量: 203.207
• InChiKey: MLBHFBKZUPLWBD-UHFFFAOYSA-N

物化性质

• 沸点：
  96 °C(Press: 17 Torr)
• 密度：
  1.152±0.06 g/cm3(Predicted)
• 保留指数：
  1136;1133

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

ADMET

代谢

Nordexfenfluramine是dexfenfluramine已知的人类代谢物。

Nordexfenfluramine is a known human metabolite of dexfenfluramine.

来源:NORMAN Suspect List Exchange

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  去甲氟苯丙胺 在 氢溴酸 、 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 芬氟拉明
  参考文献：
  名称：

  Goument, B.; Duhamel, L.; Mauge, R., Bulletin de la Societe Chimique de France, 1993, vol. 130, p. 450 - 458

  摘要：

  DOI：
• 作为产物：
  描述：

  1-[3-(三氟甲基)苯基]-2-丙醇 在 sodium hypochlorite 、 2-azaadamantane-N-oxyl 、 磷酸吡哆醛 、 异丙胺 作用下， 以 水 、 aq. phosphate buffer 为溶剂， 反应 25.0h， 以99%的产率得到
  参考文献：
  名称：

  Hybrid Organo- and Biocatalytic Process for the Asymmetric Transformation of Alcohols into Amines in Aqueous Medium

  摘要：

  A hybrid organo- and biocatalytic system for the asymmetric conversion of racemic alcohols into amines was developed. Combining an organocatalyst, AZADO, an oxidant, NaOCl, and an enzyme, omega-transaminase, we implemented a one-pot oxidation-transamination sequential process in aqueous medium. The method showed broad substrate scope and was successfully applied to conventional secondary alcohols and sterically hindered beta-substituted cycloalkanols, where a highly stereoselective dynamic asymmetric bioamination enabled us to set up both contiguous stereocenters with very high enantio- and diastereomeric ratio (>90% yield, >99% ee, and up to 49:1 dr).

  DOI：

  10.1021/acscatal.7b01543

文献信息

• [EN] TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR<br/>[FR] TÉTRAHYDRO-AZÉPINOQUINOLÉINES EN TANT QU'AGONISTES DU RÉCEPTEUR 5-HT2C
  申请人：SUNNYLIFE PHARMA INC

  公开号：WO2016033228A1

  公开（公告）日：2016-03-03

  Certain tetrahydro-azepinoquinolines of structural formula (I) are agonists of the mammalian 5-HT2c receptor, and, in particular, are selective agonists of the mammalian 5-HT2c receptor. The compounds of the present invention are therefore useful for the treatment, control, or prevention of duseases, conditions, or disorders responsive to stimulation of the 5-HT2c receptor, such as obesity, obesity-related condtions, and certain CNS-related disorders, including schizophrenia and depression. They are also useful as aids for tobacco smoking cessation. Formula (I).

  结构式（I）的某些四氢-氮杂环喹啉化合物是哺乳动物5-HT2c受体的激动剂，特别是哺乳动物5-HT2c受体的选择性激动剂。因此，本发明的化合物对于治疗、控制或预防对5-HT2c受体刺激有反应的疾病、病况或疾病是有用的，例如肥胖、与肥胖相关的病况以及包括精神分裂症和抑郁症在内的某些中枢神经系统相关疾病。它们还可用作辅助戒烟工具。结构式（I）。
• Piperazine derivatives and the use thereof as medicament
  申请人：HOENKE Christoph

  公开号：US20150105397A1

  公开（公告）日：2015-04-16

  The present inventions relate to substituted piperazine derivatives of general formula (I) and to the manufacture of said compounds, pharmaceutical compositions comprising a compound according to general formula (I), and the use of said compounds for the treatment of various medical conditions related to glycine transporter-1 (GlyT1).

  这些发明涉及一般式(I)的取代哌嗪衍生物，以及所述化合物的制备，包括符合一般式(I)的化合物的药物组合物，以及利用这些化合物治疗与甘氨酸转运蛋白-1（GlyT1）相关的各种医疗状况。
• Novel Bicyclic Pyridinones
  申请人：Pettersson Martin Youngjin

  公开号：US20120252758A1

  公开（公告）日：2012-10-04

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I as defined herein. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物及其药用可接受的盐被披露，其中所述化合物具有如本文所定义的Formula I的结构。相应的药物组合物、治疗方法、合成方法和中间体也被披露。
• NOVEL COMPOUNDS
  申请人：GRAUERT Matthias

  公开号：US20130184248A1

  公开（公告）日：2013-07-18

  This invention relates to compounds of formula I their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, Ar, R 1 , R 2 , R 3 have meanings given in the description.

  这项发明涉及到式I的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神疾病，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、Ar、R1、R2、R3在描述中有给定的含义。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013087738A1

  公开（公告）日：2013-06-20

  This invention relates to compounds of formula (I) their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, Ar, R1, R2, R3, R3a have meanings given in the description.

  这项发明涉及式(I)的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神障碍，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、Ar、R1、R2、R3、R3a的含义如描述中所示。

表征谱图