盐酸安非他酮杂质 | 119802-69-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 盐酸安非他酮杂质
• 英文名称: 2-Amino-1-(3-chloro-phenyl)-propan-1-one
• 英文别名: 2-Amino-1-(3-chlorophenyl)propan-1-one
• CAS: 119802-69-6
• 化学式: C₉H₁₀ClNO
• 分子量: 183.637
• InChiKey: RDWWHMAISJGIDU-UHFFFAOYSA-N

物化性质

• 沸点：
  304.1±27.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

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
  3'-氯丙酮苯	3'-chloro-propiophenone	34841-35-5	C9H9ClO	168.623

反应信息

• 作为反应物：
  描述：

  盐酸安非他酮杂质 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 2-Amino-1-(3-chloro-phenyl)-propan-1-ol
  参考文献：
  名称：

  Synthesis and evaluation of the anticonvulsant activity of a series of 2-amino-1-phenyl-1-propanols derived from the metabolites of the antidepressant bupropion

  摘要：

  A series of 2-amino-1-phenyl-1-propanols that are structurally related to known metabolites of bupropion,1 (Wellbutrin(R)) were synthesized and evaluated as potential anticonvulsants. The (R*,R*)-2-tert-butylamino-1-(3-trifluoromethylphenyl) propanol 20 had an ED(50) of 16.5 +/- 2.8 mg/kg ip in mice in the maximal electroshock screen and was chosen for further evaluation. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00577-x
• 作为产物：
  描述：

  3'-氯丙酮苯 在 氨 、 溴 作用下， 生成 盐酸安非他酮杂质
  参考文献：
  名称：

  Synthesis and evaluation of the anticonvulsant activity of a series of 2-amino-1-phenyl-1-propanols derived from the metabolites of the antidepressant bupropion

  摘要：

  A series of 2-amino-1-phenyl-1-propanols that are structurally related to known metabolites of bupropion,1 (Wellbutrin(R)) were synthesized and evaluated as potential anticonvulsants. The (R*,R*)-2-tert-butylamino-1-(3-trifluoromethylphenyl) propanol 20 had an ED(50) of 16.5 +/- 2.8 mg/kg ip in mice in the maximal electroshock screen and was chosen for further evaluation. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00577-x

文献信息

• Camptothecin derivatives and process for preparing same
  申请人：KABUSHIKI KAISHA YAKULT HONSHA

  公开号：EP0325247A1

  公开（公告）日：1989-07-26

  New camptothecin derivatives and a process for preparing same are disclosed, which are represented by the general formula: wherein R¹ represents a lower alkyl group, R² represents a hydrogen atom or an amino, hydroxyl, lower acylamino or lower alkoxy group, R³ represents a hydrogen or halogen atom or a lower alkyl, hydroxyl, lower alkoxy, nitro, amino, cyano or di(lower alkyl)amino group, R⁴ represents a hydrogen or halogen atom or a lower alkyl, hydroxyl, lower alkoxy, lower alkylthio, amino, cyano or di(lower alkyl)amino group, and R⁵ represents a hydrogen or halogen atom or a hydroxyl or lower alkoxy group, with the proviso that all of the R², R³, R⁴ and R⁵ substituents should not be a hydrogen atom and also that if any one of the R², R³, R⁴ and R⁵ is a hydroxyl or lower alkoxy group, all of the other three substituents should not be a hydrogen atom. The new camptothecin derivatives are useful as anti-tumor drugs or intermediates therefor.

  本发明公开了新喜树碱衍生物及其制备方法，它们由通式表示： 其中 R¹ 代表低级烷基，R² 代表氢原子或氨基、羟基、低级酰氨基或低级烷氧基，R³ 代表氢原子或卤素原子或低级烷基、羟基、低级烷氧基、硝基、氨基、氰基或二（低级烷基）氨基，R⁴ 代表氢原子或卤素原子或低级烷基、羟基、低级烷氧基、低级烷硫基、氨基、氰基或二（低级烷基）氨基，以及 R⁵ 代表氢原子或卤素原子或低级烷基、羟基、低级烷氧基、低级烷硫基、氨基、氰基或二（低级烷基）氨基、R⁴代表氢原子、卤素原子或低级烷基、羟基、低级烷氧基、低级烷硫基、氨基、氰基或二（低级烷基）氨基，R⁵代表氢原子、卤素原子或羟基或低级烷氧基，但所有 R²、R³、R⁴ 和 R⁵ 取代基都不能是氢原子，而且如果 R²、R³、R⁴ 和 R⁵ 中的任何一个是羟基或低级烷氧基，则其他三个取代基都不能是氢原子。新喜树碱衍生物可用作抗肿瘤药物或其中间体。
• Methods and compositions for making ephedrine and related alkaloid compounds
  申请人：Willow BioSciences Inc.

  公开号：US10676767B2

  公开（公告）日：2020-06-09

  Methods for making alkaloid compounds, including ephedrine and derivatives thereof. The methods involve the performance of an N-methyltransferase catalyzed chemical reaction.

  制造生物碱化合物，包括麻黄碱及其衍生物的方法。这些方法包括进行 N-甲基转移酶催化的化学反应。
• Fluoroethylcamptothecin derivatives
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0471358B1

  公开（公告）日：1996-05-08
• AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION
  申请人：Abbott Healthcare Products B.V.

  公开号：EP2041131B1

  公开（公告）日：2011-09-28
• METHODS AND COMPOSITIONS FOR MAKING EPHEDRINE AND RELATED ALKALOID COMPOUNDS
  申请人：Serturner Corp.

  公开号：EP3314001A1

  公开（公告）日：2018-05-02