(R)-(4-苄基吗啉-2-基)甲醇 | 943442-96-4

• 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: (R)-(4-苄基吗啉-2-基)甲醇
• 中文别名: (R)-N-苄基-2-羟甲基吗啉
• 英文名称: (R)-N-benzyl-2-(hydroxymethyl)morpholine
• 英文别名: (R)-(4-benzylmorpholin-2-yl)methanol；[(2R)-4-benzylmorpholin-2-yl]methanol
• CAS: 943442-96-4
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: WQNIKIMRIXHNFF-GFCCVEGCSA-N

物化性质

• 沸点：
  303.2±27.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于二氯甲烷；甲醇；

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  (R)-(4-苄基吗啉-2-基)甲醇 、 三氟乙酸 在 palladium on activated charcoal (6R)-六氢-4-苄基-1,4-氧氮杂-6-醇 、 氢气 作用下， 以 甲醇 为溶剂， 反应 15.0h， 生成 (R)-morpholin-2-ylmethanol trifluoroacetate
  参考文献：
  名称：

  PROCESS FOR PRODUCING 2-HYDROXYMETHYLMORPHOLINE SALT

  摘要：

  公开号：

  EP2388252B1
• 作为产物：
  描述：

  右旋环氧氯丙烷 、 N-苄基乙醇胺 在 sodium hydroxide 作用下， 以 水 、 异丙醇 为溶剂， 反应 7.0h， 生成 (R)-(4-苄基吗啉-2-基)甲醇 、 (6R)-六氢-4-苄基-1,4-氧氮杂-6-醇
  参考文献：
  名称：

  PROCESS FOR PRODUCING 2-HYDROXYMETHYLMORPHOLINE SALT

  摘要：

  公开号：

  EP2388252B1

文献信息

• [EN] DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA<br/>[FR] ANTAGONISTES DOUBLES DES RECEPTEURS NK1/NK3 POUR TRAITER LA SCHIZOPHRENIE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005002577A1

  公开（公告）日：2005-01-13

  The use of compounds of the general formula wherein the substituents are as described in claim 1 or pharmaceutically active acid-addition salts thereof for the preparation of medicaments for the treatment of schizophrenia.

  使用一般式化合物，其中取代基如权利要求1中所述，或其药用活性酸盐，用于制备治疗精神分裂症的药物。
• [EN] MORPHOLINO COMPOUNDS, USES AND METHODS<br/>[FR] COMPOSÉS MORPHOLINO, UTILISATIONS ET PROCÉDÉS
  申请人：UNIV DUNDEE

  公开号：WO2012160392A1

  公开（公告）日：2012-11-29

  The invention relates to morpholino-derivatives according to Formula (I) or stereoisomers or pharmaceutically acceptable salts or solvate thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, m and n are as defined in the specification. The compounds are antagonists, reverse agonists or agonists of G-protein coupled receptors, such as dopamine D4 and 5HT1a. The inventions also relates to pharmaceutical compositions comprising the compounds and methods involving the compounds and compositions. The compounds and compositions of the invention may in particular be used in the treatment of diseases and disorders, such as neurological and neurodegenerative diseases; or as lead compounds for the design and selection of further therapeutic compounds.

  该发明涉及根据式（I）的吗啡啉衍生物或其立体异构体或药用可接受的盐或溶剂化物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、m和n如规范中定义。这些化合物是G蛋白偶联受体的拮抗剂、逆向激动剂或激动剂，例如多巴胺D4和5HT1a。该发明还涉及包括这些化合物的药物组合物和涉及这些化合物和组合物的方法。该发明的化合物和组合物特别可用于治疗疾病和疾病，如神经和神经退行性疾病；或作为设计和选择更多治疗化合物的引导化合物。
• MORPHOLINO COMPOUNDS, USES AND METHODS
  申请人：University of Dundee

  公开号：US20140148452A1

  公开（公告）日：2014-05-29

  The invention relates to morpholino-derivatives according to Formula (I) or stereoisomers or pharmaceutically acceptable salts or solvate thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , m and n are as defined in the specification. The compounds are antagonists, reverse agonists or agonists of G-protein coupled receptors, such as dopamine D4 and 5HT1a. The inventions also relates to pharmaceutical compositions comprising the compounds and methods involving the compounds and compositions. The compounds and compositions of the invention may in particular be used in the treatment of diseases and disorders, such as neurological and neurodegenerative diseases; or as lead compounds for the design and selection of further therapeutic compounds.

  该发明涉及按照式(I)的吗啡啉衍生物或其立体异构体或药用可接受的盐或溶剂，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、m和n如规范中定义。这些化合物是G蛋白偶联受体的拮抗剂、反向激动剂或激动剂，例如多巴胺D4和5HT1a。该发明还涉及包括这些化合物的药物组合物和涉及这些化合物和组合物的方法。该发明的化合物和组合物特别可用于治疗疾病和障碍，如神经系统和神经退行性疾病；或作为设计和选择进一步治疗化合物的引导化合物。
• Efficient One-Pot Synthesis of Enantiomerically Pure 2-(Hydroxymethyl)morpholines
  作者：Matthias Breuning、Malte Winnacker、Melanie Steiner

  DOI：10.1002/ejoc.200601006

  日期：2007.5

  An efficient and convenient one-pot procedure for the synthesis of enantiomerically pure 2-(hydroxymethyl)morpholines with a widely variable substitution pattern was developed. Addition of chiral β-amino alcohols to (S)- or (R)-epichlorohydrin in the presence of LiClO4 afforded the corresponding chloro alcohols, which were treated with NaOMe to give the epoxides and, by subsequent intramolecular cyclization

  开发了一种用于合成具有广泛可变取代模式的对映异构纯 2-(羟甲基) 吗啉的有效和方便的一锅法。在 LiClO4 存在下将手性 β-氨基醇加成到（S）-或（R）-表氯醇中得到相应的氯醇，用 NaOMe 处理得到环氧化物，然后通过分子内环化，得到良好的目标化合物产率 (57–77%)。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• Dual NK1/NK3 receptor antagonists
  申请人：Hoffmann Torsten

  公开号：US20050090533A1

  公开（公告）日：2005-04-28

  The present invention provides a method for the treatment of schizophrenia which comprises administering a compound of formula wherein the substituents are as described herein or a pharmaceutically active acid-addition salt thereof. In particular, the invention provides methods for treating both positive and negative symptoms of schizophrenia through dual inhibition of NK1 and NK3 receptors. The invention also provides novel compounds with formula I and methods for preparing compounds of the invention.

  本发明提供了一种治疗精神分裂症的方法，包括给予式中所述的取代基如本文所述的化合物或其药物活性酸盐。特别地，本发明提供了通过双重抑制NK1和NK3受体治疗精神分裂症的方法，包括治疗阳性和阴性症状。本发明还提供了具有式I的新化合物以及制备本发明化合物的方法。