帕罗西汀杂质6 | 100332-12-5

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: 帕罗西汀杂质6
• 英文名称: (3R,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
• 英文别名: (+)-cis-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine；(+)-cis-4-(4-fluorphenyl)-3-hydroxymethyl-1-methylpiperidine；3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3R,4R)-；[(3R,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
• CAS: 100332-12-5
• 化学式: C₁₃H₁₈FNO
• 分子量: 223.29
• InChiKey: CXRHUYYZISIIMT-YPMHNXCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  帕罗西汀杂质6 、 4-甲氧基苯酚 生成 (3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
  参考文献：
  名称：

  LASSEN, J. B.;CHRISTENSEN, J. A.;PETERSEN, E. N.;HANSEN, J. B.

  摘要：

  DOI：

文献信息

• PREPARATION OF PAROXETINE HYDROCHLORIDE HEMIHYDRATE
  申请人：Thippannachar Mathad Vijayavitthal

  公开号：US20060264637A1

  公开（公告）日：2006-11-23

  A process for preparing paroxetine hydrochloride hemihydrate.

  制备帕罗西汀盐酸盐半水合物的工艺。
• Novel process
  申请人：SmithKline Beecham p.l.c.

  公开号：US20020010155A1

  公开（公告）日：2002-01-24

  A process for the preparation of a 4-aryl-3-oxymethyl-piperidine of structure (1) 1 in which R is hydrogen or an alkyl, arylalkyl, allyl, acyl, carbonyloxyalkyl, carbonyloxyaryl, or carbonyloxyalkylaryl group, and Y is a hydrogen atom or an optionally substituted alkyl, arylalkyl, or aryl group, from a carboxy derivative of structure (2) 2 where A is oxygen or sulphar, X is one or more of hydrogen, or a readily reducible group, Z represents either a hydrogen atom or an OY′ group in which Y′ is independently selected from the same groups as Y, and the broken line circle indicates bonding, appropriate to a tetrahydropyridine, dihydropyridine, pyridine, or piperidine ring said process comprising (a) when Y is a hydrogen atom, reducing the compound of structure (2), or (b) when Y is other than a hydrogen atom (i) forming an ether from the alcohol product of step (a), (ii) etherifying the aldehyde compound of structure (2) in which Z is hydrogen, or (iii) reducing the ester compound of structure (2) in which Z is OY′.

  一种制备结构（1）中的4-芳基-3-氧甲基-哌啶的方法，其中R是氢或烷基、芳基烷基、烯丙基、酰基、羰基氧烷基、羰基氧芳基或羰基氧烷基芳基，Y是氢原子或可选择取代的烷基、芳基烷基或芳基，从结构（2）中的羧衍生物进行，其中A是氧或硫，X是一个或多个氢或易还原基团，Z代表氢原子或OY′基团，其中Y′独立选择自Y相同的基团，中断线圆表示键合，适用于四氢吡啶、二氢吡啶、吡啶或哌啶环的过程包括(a)当Y是氢原子时，还原结构（2）的化合物，或(b)当Y不是氢原子时(i)从步骤（a）的醇产物中形成醚，(ii)使结构（2）中Z为氢的醛化合物醚化，或(iii)还原结构（2）中Z为OY′的酯化合物。
• (-)-Trans-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)meth
  申请人：A/S Ferrosan

  公开号：US04593036A1

  公开（公告）日：1986-06-03

  The compound (-)-trans-4-(4-florophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidin e and pharmaceutically-acceptable acid addition salts thereof, pharmaceutical compositions thereof, and their use in potentiating the 5-hydroxytryptamine(5-HT) of a subject in need thereof, for the alleviation of any of various physiological abnormalities, are disclosed.

  本发明公开了化合物(-)-反式-4-(4-氟苯基)-3-[(4-甲氧基苯氧基)甲基]-1-甲基哌啶及其药学上可接受的酸盐加合物、制药组合物以及它们在增强需要该药物的对象的5-羟色胺(5-HT)中的作用，以缓解各种生理异常。
• Preparation of N-methylparoxetine and related intermediate compounds
  申请人：——

  公开号：US20020151567A1

  公开（公告）日：2002-10-17

  The present invention provides a process for preparing N-methylparoxetine, an intermediate in the synthesis of paroxetine, by reacting sesamol-tetrabutylammonium salt with CIPMA. The synthesis of the intermediate in the prior are resulted in a particularly low yield. The use of the sesamol-tetrabutylammonium salt increases the yield by more than three folds over the prior art. The present invention is not limited to the synthesis of N-methylparoxetine, but also includes other similar compounds.

  本发明提供了一种制备N-甲基帕罗西汀的方法，该方法中间体用于合成帕罗西汀，方法是通过将芝麻酚四丁基铵盐与CIPMA反应。先前的中间体合成产率特别低。使用芝麻酚四丁基铵盐可以将产率提高三倍以上。本发明不仅限于N-甲基帕罗西汀的合成，还包括其他类似化合物。
• A phenylpiperidine derivative, and its salts, their preparation, compositions containing them, and their therapeutic use
  申请人：A/S FERROSAN

  公开号：EP0152273A2

  公开（公告）日：1985-08-21

  (-)-trans-4-(4-Fluorophenyl)-3-(4-methoxyphenoxy)-methyl]piperidine and its acid addition salts are novel compounds of utility in potentiating serotonin. They are prepared by demethylating the corresponding 1-methylpiperidine.

  (-)-反式-4-(4-氟苯基)-3-(4-甲氧基苯氧基)-甲基]哌啶及其酸加成盐是一种新型化合物，可用于增效血清素。它们是通过对相应的 1-甲基哌啶进行去甲基化而制备的。