文拉法辛杂质13 | 727728-51-0

• 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 - 氮杂螺癸烷衍生物
• 中文名称: 文拉法辛杂质13
• 英文名称: 5-(4-methoxyphenyl)-3-aza-1-oxaspiro[5,5]undecane
• 英文别名: 5-(4-methoxyphenyl)-3-aza-1-oxaspiro[5.5]undecane；5-(4-Methoxyphenyl)-1-oxa-3-azaspiro[5.5]undecane
• CAS: 727728-51-0
• 化学式: C₁₆H₂₃NO₂
• 分子量: 261.364
• InChiKey: RUSOCKLERVKRAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  1-[2-氨基-1-(4-甲氧基苯基)乙基]环己醇	N,N-didesmethylvenlafaxine	93413-77-5	C15H23NO2	249.353
  (1-羟环己基)(4-甲氧基苯基)乙腈	1-[cyano(4-methoxyphenyl)methyl]cyclohexanol	93413-76-4	C15H19NO2	245.321

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  文拉法辛	1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexanol	93413-69-5	C17H27NO2	277.407

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 文拉法辛杂质13 在 甲酸 作用下， 反应 15.0h， 生成 文拉法辛
  参考文献：
  名称：

  Simple and an efficient method for the synthesis of 1-[2-dimethylamino-1-(4-methoxy-phenyl)-ethyl]-cyclohexanol hydrochloride: (±) venlafaxine racemic mixtures

  摘要：

  A novel synthetic method was developed for the synthesis of venlafaxine using inexpensive reagents. An improvement in the method, in the yield was achieved for the conversion of the venlafaxine. This is an improved version, simple and efficient method for the large-scale synthesis of venlafaxine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.098
• 作为产物：
  描述：

  对甲氧基苯乙腈 在 镍 sodium hydroxide 、 四丁基溴化铵 、 氨 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 25.0~40.0 ℃ 、1.01 MPa 条件下， 反应 21.0h， 生成 文拉法辛杂质13
  参考文献：
  名称：

  Simple and an efficient method for the synthesis of 1-[2-dimethylamino-1-(4-methoxy-phenyl)-ethyl]-cyclohexanol hydrochloride: (±) venlafaxine racemic mixtures

  摘要：

  A novel synthetic method was developed for the synthesis of venlafaxine using inexpensive reagents. An improvement in the method, in the yield was achieved for the conversion of the venlafaxine. This is an improved version, simple and efficient method for the large-scale synthesis of venlafaxine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.098

文献信息

• 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.
• Simple and an efficient method for the synthesis of 1-[2-dimethylamino-1-(4-methoxy-phenyl)-ethyl]-cyclohexanol hydrochloride: (±) venlafaxine racemic mixtures
  作者：Basappa、C.V. Kavitha、K.S. Rangappa

  DOI：10.1016/j.bmcl.2004.03.098

  日期：2004.6

  A novel synthetic method was developed for the synthesis of venlafaxine using inexpensive reagents. An improvement in the method, in the yield was achieved for the conversion of the venlafaxine. This is an improved version, simple and efficient method for the large-scale synthesis of venlafaxine. (C) 2004 Elsevier Ltd. All rights reserved.