3-Brom-4-methoxy-N,N-dimethyl-anilin | 102236-13-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-Brom-4-methoxy-N,N-dimethyl-anilin
• 英文别名: 3-bromo-4-methoxy-N,N-dimethyl-aniline；3-Bromo-4-methoxy-N,N-dimethylaniline；3-bromo-4-methoxy-N,N-dimethylaniline
• CAS: 102236-13-5
• 化学式: C₉H₁₂BrNO
• 分子量: 230.104
• InChiKey: ZPTYNMDNRYYQSI-UHFFFAOYSA-N

物化性质

• 沸点：
  302.5±27.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)
• 保留指数：
  1633

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Brom-4-methoxy-N,N-dimethyl-anilin 、 5-氯靛红 以397 mg of the title compound (brown solid) was obtained by a similar method to Step 21-1的产率得到5-chloro-3-[5-(dimethylamino)-2-methoxyphenyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
  参考文献：
  名称：

  1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle

  摘要：

  本发明旨在提供一种对精氨酸加压素V1b受体相关的病理状况有效的药物。更具体地说，本发明旨在提供一种对抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、饮食失调、高血压、消化系统疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫性疾病、脱发等具有治疗或预防作用的药物。经过密集研究，发现了一种新型的1,3-二氢吲哚-2-酮化合物和一种与杂环芳香环融合的吡咯烷-2-酮化合物，它们是高度选择性的精氨酸加压素V1b受体拮抗剂，具有高代谢稳定性、良好的脑穿透性和高血浆浓度，从而实现了上述目标。

  公开号：

  US08030499B2
• 作为产物：
  描述：

  磷酸三甲酯 、 3-溴-4-甲氧基苯胺 生成 3-Brom-4-methoxy-N,N-dimethyl-anilin
  参考文献：
  名称：

  358.取代基对NN-二甲基苯胺与烯丙基溴反应的累积作用

  摘要：

  DOI：

  10.1039/jr9590001808

文献信息

• 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle
  申请人：Sekiguchi Yoshinori

  公开号：US20080318923A1

  公开（公告）日：2008-12-25

  It is intended to provide a drug which is efficacious against pathological conditions relating to arginine-vasopressin V1b receptor. More particularly speaking, it is intended to provide a drug which has a therapeutic or preventive effect on depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorders, hypertension, digestive diseases, drug addiction, epilepsy, brain infarction, brain ischemia, brain edema, head injury, inflammation, immune diseases, alopecia and so on. As the results of intensive studies, a novel 1,3-dihydro-2H-indol-2-one compound and a pyrrolidin-2-one compound fused with a heteroaromatic ring, which are highly selective antagonists of arginine-vasopressin V1b receptor, have high metabolic stabilities and show favorable brain penetration and high plasma concentrations, are found, thereby achieving the above objective.

  本发明旨在提供一种对精氨酸加压素V1b受体相关的病理状况具有疗效的药物。更具体地说，本发明旨在提供一种具有治疗或预防抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、消化系统疾病、药物成瘾、癫痫、脑梗塞、脑缺血、脑水肿、头部损伤、炎症、免疫系统疾病、脱发等作用的药物。经过深入研究，发现了一种新型的1,3-二氢吲哚-2-酮化合物和一种与杂环芳香族环融合的吡咯烷-2-酮化合物，它们是精氨酸加压素V1b受体高度选择性的拮抗剂，具有高代谢稳定性、良好的脑穿透力和高血浆浓度，从而实现了上述目标。
• 358. The cumulative effect of substituents on the reaction of NN-dimethylanilines with allyl bromide
  作者：H. P. Crocker、Brynmor Jones

  DOI：10.1039/jr9590001808

  日期：——
• 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：US08030499B2

  公开（公告）日：2011-10-04

  It is intended to provide a drug which is efficacious against pathological conditions relating to arginine-vasopressin V1b receptor. More particularly speaking, it is intended to provide a drug which has a therapeutic or preventive effect on depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorders, hypertension, digestive diseases, drug addiction, epilepsy, brain infarction, brain ischemia, brain edema, head injury, inflammation, immune diseases, alopecia and so on. As the results of intensive studies, a novel 1,3-dihydro-2H-indol-2-one compound and a pyrrolidin-2-one compound fused with a heteroaromatic ring, which are highly selective antagonists of arginine-vasopressin V1b receptor, have high metabolic stabilities and show favorable brain penetration and high plasma concentrations, are found, thereby achieving the above objective.

  本发明旨在提供一种对精氨酸加压素V1b受体相关的病理状况有效的药物。更具体地说，本发明旨在提供一种对抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、饮食失调、高血压、消化系统疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫性疾病、脱发等具有治疗或预防作用的药物。经过密集研究，发现了一种新型的1,3-二氢吲哚-2-酮化合物和一种与杂环芳香环融合的吡咯烷-2-酮化合物，它们是高度选择性的精氨酸加压素V1b受体拮抗剂，具有高代谢稳定性、良好的脑穿透性和高血浆浓度，从而实现了上述目标。