3-methyl-6-[(4'-fluoro-phenyl)-thio]-benzyl chloride | 54506-86-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-methyl-6-[(4'-fluoro-phenyl)-thio]-benzyl chloride
• 英文别名: 2-(4-fluoro-phenylsulfanyl)-5-methyl-benzyl chloride；2-(Chloromethyl)-1-(4-fluorophenyl)sulfanyl-4-methylbenzene
• CAS: 54506-86-4
• 化学式: C₁₄H₁₂ClFS
• 分子量: 266.767
• InChiKey: FTXUAAFZNQOOPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-6-[(4'-fluoro-phenyl)-thio]-benzyl chloride 以 乙醇 、 水 为溶剂， 生成 <6-<(p-Fluorphenyl)thio>-m-tolyl>acetonitril
  参考文献：
  名称：

  1-[10,11-Dihydro-dibenzo[b,f]-thiepin-10-yl]-4-(alkynylalkyl)-piperazines

  摘要：

  二苯并[b,f]噻吩衍生物的化学式如下：##SPC1##其中R、R.sub.1、R.sub.2、R.sub.3和R.sub.4如下所述。本发明的二苯并[b,f]噻吩具有强大的中枢抑制和神经阻滞特性，因此可用于治疗急性或慢性精神分裂症，同时也可用作镇定剂。

  公开号：

  US03996229A1
• 作为产物：
  描述：

  6-<(p-Fluorphenyl)thio>-m-tolylsaeuremethylester 在 氯化亚砜 、 红铝 作用下， 生成 3-methyl-6-[(4'-fluoro-phenyl)-thio]-benzyl chloride
  参考文献：
  名称：

  Stereospezifität der neuroleptischen Wirkung und Chiralität von (+)-3-{2-[4-(8-Fluor-2-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-äthyl}-2-oxazolidinon (16). 4. Mitteilung über tricyclische Antidepressiva und Neuroleptica

  摘要：

  Stereospecifity of the neuroleptic activity and chirality of (+)‐3‐{2‐[4‐(8‐fluoro‐2‐methyl‐10, 11‐dihydrodibenzo[b,f]thiepin‐10‐yl)‐1‐piperazinyl]ethyl}‐2‐oxazolidinone (16).The synthesis and stereospecific neuroleptic action in animals of the (+)‐enantiomer of 3‐{2‐[4‐(8‐fluoro‐2‐methyl‐10,11‐dihydrodibenzo [b,f]thiepin‐10‐yl)‐1‐piperazinyl]ethyl}‐2‐oxazolidinone (16) are briefly described. The (10S)‐configuration of this compound was determined by X‐ray diffraction.

  DOI：

  10.1002/hlca.19760590428

文献信息

• Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives
  申请人：Galley Guido

  公开号：US20070197621A1

  公开（公告）日：2007-08-23

  The present invention relates a method for treating depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders which comprises administering to an individual a therapeutically effective amount of a compound of formula I wherein R, R 1 , R 2 , A and n are as defined in the specification and to their pharmaceutically active salts. The invention also relates to novel compounds of formula I, pharmaceutical compositions containing them, and methods for their preparation.

  本发明涉及一种治疗抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍、压力相关障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用、进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病的方法，包括向个体施用化合物I的治疗有效量，其中R、R1、R2、A和n如规范中所定义，以及其药用活性盐。该发明还涉及化合物I的新颖化合物、含有它们的药物组合物以及它们的制备方法。
• Dibenzo [b,f]thiepins bearing piperazinyl substitution
  申请人：Hoffmann-la Roche Inc.

  公开号：US03954764A1

  公开（公告）日：1976-05-04

  Compounds of the formulas ##SPC1## Wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, m and n and X are as hereinafter set forth, Are described. The compounds of formulas I and Ia are useful as neuroleptic agents.

  化合物的公式如下：##SPC1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、m、n和X如下所述。公式I和Ia的化合物可用作神经阻滞剂。
• 1-[10,11-Dihydro-dibenzo[b,f]-thiepin-10-yl]-4-(alkynylalkyl)-piperazines
  申请人：Hoffmann-La Roche Inc.

  公开号：US03996229A1

  公开（公告）日：1976-12-07

  Dibenzo[b,f]thiepin derivatives of the formula ##SPC1## Wherein R, R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are as hereinafter set forth, are described. The dibenzo[b,f]thiepins of the invention possess strong central depressant and neuroleptic properties and are therefore useful, for example, in the treatment of acute or chronic schizophrenia and also as tranquilizers.

  二苯并[b,f]噻吩衍生物的化学式如下：##SPC1##其中R、R.sub.1、R.sub.2、R.sub.3和R.sub.4如下所述。本发明的二苯并[b,f]噻吩具有强大的中枢抑制和神经阻滞特性，因此可用于治疗急性或慢性精神分裂症，同时也可用作镇定剂。
• (+)-(S)-Enantiomer of
  申请人：Hoffmann-La Roche, Inc.

  公开号：US04089861A1

  公开（公告）日：1978-05-16

  (+)-(S)-enantiomer of 3-2-[4-(8-fluoro-10,11-dihydro-2-methyldibenzo[b,f]thiepin-10-yl)-1-piper azinyl]-ethyl} -2-oxazolidinone, active as a neuroleptic agent, is described.

  描述了作为神经阻滞剂活性的3-2-[4-(8-氟-10,11-二氢-2-甲基二苯并[b,f]噻吩-10-基)-1-哌嗪基]-乙基}-2-噁唑烷酮的(+)-(S)-对映体。
• ASCHWANDEN W.; KYBURZ E.; SCHOENHOLZER P., HELV. CHIM. ACTA <HCAC-AV>, 1976, 59, NO 4, 1245-1252
  作者：ASCHWANDEN W.、 KYBURZ E.、 SCHOENHOLZER P.

  DOI：——

  日期：——