3-氯-alpha-[1-(叔丁基氨基)乙基]苯甲醇 | 119802-68-5

• 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: 3-氯-alpha-[1-(叔丁基氨基)乙基]苯甲醇
• 中文别名: 1-(3-氯苯基)-2-(叔丁基氨基)-1-丙醇
• 英文名称: 2-tert-butylamino-1-(3-chlorophenyl)propan-1-ol
• 英文别名: 2-(tert-butylamino)-1-(3-chlorophenyl)-propane-1-ol；2-(Tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
• CAS: 119802-68-5
• 化学式: C₁₃H₂₀ClNO
• 分子量: 241.761
• InChiKey: NDPTTXIBLSWNSF-UHFFFAOYSA-N

物化性质

• 密度：
  1.078
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-氯-alpha-[1-(叔丁基氨基)乙基]苯甲醇 以99%的产率得到
  参考文献：
  名称：

  WO2007/102019

  摘要：

  公开号：
• 作为产物：
  描述：

  3'-氯丙酮苯 在 sodium tetrahydroborate 、 溴 作用下， 以 乙醇 为溶剂， 生成 3-氯-alpha-[1-(叔丁基氨基)乙基]苯甲醇
  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

• [EN] BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE<br/>[FR] METABOLITES DU BUPROPION ET LEURS PROCEDES DE SYNTHESE ET D'UTILISATION
  申请人：SEPRACOR INC

  公开号：WO2001062257A2

  公开（公告）日：2001-08-30

  Methods and compositions are disclosed which utilize metabolites of bupropion for treating disorders ameliorated by inhibition of neuronal monoamine reuptake. Such disorders include, but are not limited to, sexual dysfunction, affective disorders, cerebral function disorders, cigarette smoking, and incontinence. Methods of making optically pure bupropion metabolites are also disclosed.

  本发明公开了利用丁丙腈代谢物治疗神经元单胺再摄取抑制改善的疾病的方法和组合物。这些疾病包括但不限于性功能障碍、情感障碍、脑功能障碍、吸烟和失禁。本发明还公开了制备光学纯丁丙腈代谢物的方法。
• Bupropion metabolites and methods of their synthesis and use
  申请人：SEPRACOR INC.

  公开号：US20020052341A1

  公开（公告）日：2002-05-02

  Methods and compositions are disclosed which utilize metabolites of bupropion for treating disorders ameliorated by inhibition of neuronal monoamine reuptake. Such disorders include, but are not limited to, sexual dysfunction, affective disorders, cerebral function disorders, cigarette smoking, and incontinence. Methods of making optically pure bupropion metabolites are also disclosed.

  本文披露了利用伯泊隆代谢物治疗神经元单胺重摄取抑制所改善的疾病的方法和组合物。这些疾病包括但不限于性功能障碍、情感障碍、脑功能障碍、吸烟和失禁。本文还披露了制备光学纯伯泊隆代谢物的方法。
• Intermediates of bupropion metabolites synthesis
  申请人：Fang Qun Kevin

  公开号：US20060058300A1

  公开（公告）日：2006-03-16

  Methods and compositions are disclosed which utilize metabolites of bupropion for treating disorders ameliorated by inhibition of neuronal monoamine reuptake. Such disorders include, but are not limited to, sexual dysfunction, affective disorders, cerebral function disorders, cigarette smoking, and incontinence. Methods of making optically pure bupropion metabolites are also disclosed.

  本文公开了利用伯泊隆代谢产物治疗通过抑制神经元单胺再摄取改善的疾病的方法和组合物。这些疾病包括但不限于性功能障碍，情感障碍，脑功能障碍，吸烟和失禁。本文还公开了制备光学纯伯泊隆代谢产物的方法。
• Use of Bupropion Metabolites for the Treatment of Inflammatory Disorders
  申请人：Brew John

  公开号：US20090318562A1

  公开（公告）日：2009-12-24

  Compounds that may be used for the treatment or prevention of a condition associated with T-cell proliferation or that is mediated by pro-inflammatory cytokines are of formula (1) or a salt thereof.

  可能用于治疗或预防与T细胞增殖有关或由促炎症细胞因子介导的疾病的化合物为公式（1）或其盐。
• Bupropion Metabolites and Methods of Their Synthesis and Use
  申请人：FANG Kevin Qun

  公开号：US20100125070A1

  公开（公告）日：2010-05-20

  Methods and compositions are disclosed which utilize metabolites of bupropion for treating disorders ameliorated by inhibition of neuronal monoamine reuptake. Such disorders include, but are not limited to, sexual dysfunction, affective disorders, cerebral function disorders, cigarette smoking, and incontinence. Methods of making optically pure bupropion metabolites are also disclosed.

  本文披露了利用伯泊隆代谢产物治疗通过抑制神经元单胺再摄取得到改善的疾病的方法和组合物。这些疾病包括但不限于性功能障碍、情感障碍、脑功能障碍、吸烟和失禁。本文还披露了制备光学纯伯泊隆代谢产物的方法。