N-甲酰基-1-(2-氨基-1-(4-甲氧基苯基)乙基)环己醇 | 272788-07-5

• 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 - 苯类化合物 - 苯酚醚
• 中文名称: N-甲酰基-1-(2-氨基-1-(4-甲氧基苯基)乙基)环己醇
• 中文别名: 文拉法辛杂质16
• 英文名称: N-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]formamide
• CAS: 272788-07-5
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.364
• InChiKey: HFEWAPNBBRDHEN-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-甲酰基-1-(2-氨基-1-(4-甲氧基苯基)乙基)环己醇 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以88.8%的产率得到1-[2-甲基氨基-1-(4-甲氧基苯基)乙基]环己醇
  参考文献：
  名称：

  DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME

  摘要：

  本文揭示了制备(-)-文拉法辛衍生物的方法和包含该衍生物的组合物。还揭示了治疗和预防疾病和疾病的方法，包括但不限于情感障碍，如抑郁症，双相和躁狂障碍，注意力缺陷障碍，注意力缺陷过动障碍，帕金森病，癫痫，脑功能障碍，肥胖和体重增加，失禁，痴呆及相关疾病。

  公开号：

  US20150299102A1
• 作为产物：
  描述：

  对甲氧基苯乙腈 在 sodium tetrahydroborate 、 cobalt(II) chloride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 8.5h， 生成 N-甲酰基-1-(2-氨基-1-(4-甲氧基苯基)乙基)环己醇
  参考文献：
  名称：

  DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME

  摘要：

  本文揭示了制备(-)-文拉法辛衍生物的方法和包含该衍生物的组合物。还揭示了治疗和预防疾病和疾病的方法，包括但不限于情感障碍，如抑郁症，双相和躁狂障碍，注意力缺陷障碍，注意力缺陷过动障碍，帕金森病，癫痫，脑功能障碍，肥胖和体重增加，失禁，痴呆及相关疾病。

  公开号：

  US20150299102A1

文献信息

• DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME
  申请人：Jerussi Thomas

  公开号：US20080269166A2

  公开（公告）日：2008-10-30

  Methods of preparing, and compositions comprising, derivatives of venlafaxine are disclosed. Also disclosed are methods of treating and preventing diseases and disorders including, but not limited to, affective disorders such as depression, bipolar and manic disorders, attention deficit disorder, attention deficit disorder with hyperactivity, Parkinson's disease, epilepsy, cerebral function disorders, obesity and weight gain, incontinence, dementia and related disorders.

  本发明揭示了制备文拉法辛衍生物的方法和组合物。还揭示了治疗和预防疾病和疾病的方法，包括但不限于情感障碍，如抑郁症，双相和躁狂障碍，注意力缺陷障碍，注意力缺陷障碍伴有多动症，帕金森病，癫痫，脑功能障碍，肥胖和体重增加，失禁，痴呆和相关疾病。
• Derivatives of venlafaxine and methods of preparing and using the same
  申请人：Jerussi Thomas P.

  公开号：US20120302794A1

  公开（公告）日：2012-11-29

  Methods of preparing, and compositions comprising, derivatives of venlafaxine are disclosed. Also disclosed are methods of treating and preventing diseases and disorders including, but not limited to, affective disorders such as depression, bipolar and manic disorders, attention deficit disorder, attention deficit disorder with hyperactivity, Parkinson's disease, epilepsy, cerebral function disorders, obesity and weight gain, incontinence, dementia and related disorders.

  本发明揭示了制备文拉法辛衍生物的方法和包含文拉法辛衍生物的组合物。还揭示了治疗和预防疾病和障碍的方法，包括但不限于情感障碍，如抑郁症、双相和躁狂障碍、注意力缺陷障碍、注意力缺陷多动障碍、帕金森病、癫痫、脑功能障碍、肥胖和体重增加、失禁、痴呆和相关障碍。
• Derivatives of Venlafaxine and methods of preparing and using the same
  申请人：Sepracor Inc.

  公开号：EP1905757A1

  公开（公告）日：2008-04-02

  Methods of preparing, and compositions comprising, derivatives of venlafaxine axe disclosed. Also disclosed are -methods of treating and preventing diseases and disorders including, but not limited to, affective disorders such as depression, bipolar and manic disorders, attention deficit disorder, attention deficit disorder with hyperactivity, Parkinson's disease, epilepsy, cerebral function disorders, obesity and weight gain, incontinence, dementia and related disorders.

  公开了文拉法辛衍生物的制备方法和组合物。还公开了治疗和预防疾病和失调的方法，包括但不限于情感障碍，如抑郁症、双相情感障碍和躁狂症、注意力缺陷障碍、多动注意力缺陷障碍、帕金森病、癫痫、脑功能障碍、肥胖和体重增加、大小便失禁、痴呆及相关失调。
• Derivatives of (-)-venlafaxine and methods of preparing and using the same
  申请人：SEPRACOR, INC.

  公开号：EP1953136A1

  公开（公告）日：2008-08-06

  Methods of preparing, and compositions comprising, derivatives of (-)-venlafaxine are disclosed. Also disclosed are methods of treating and preventing diseases and disorders including affective disorders such as depression, bipolar and manic disorders, attention deficit disorder, attention deficit disorder with hyperactivity, Parkinson's disease, epilepsy, cerebral function disorders, obesity and weight gain, incontinence, dementia and related disorders.

  本发明公开了制备(-)-文拉法辛衍生物的方法以及由其组成的组合物。还公开了治疗和预防疾病和失调的方法，包括情感障碍，如抑郁症、双相情感障碍和躁狂症、注意力缺陷障碍、注意力缺陷障碍伴多动、帕金森病、癫痫、脑功能障碍、肥胖和体重增加、大小便失禁、痴呆和相关失调。
• Impurity Profile Study of Venlafaxine Hydrochloride, an Antipsychotic Drug Substance
  作者：Mohanarangam Saravanan、Karra Suresh Kumar、Padi Pratap Reddy、Bollikonda Satyanarayana

  DOI：10.1080/00397910903162767

  日期：2010.6.16

  Venlafaxine hydrochloride is a phenyl ethylamine derivative, used for the treatment of depression. During the process development of venlafaxine hydrochloride, six process-related potential impurities were detected in high-performance liquid chromatography. All these impurities were identified, synthesized, and subsequently characterized by their respective spectral data (IR, mass, 1H NMR, and 13C NMR) as described in this article.