{(2R)-7-nitro-8-[(E)-3-oxo-1-butenyl]-2,3-dihydro-1,4-benzo-dioxin-2-yl}methyl 4-methylbenzenesulfonate | 460354-00-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: {(2R)-7-nitro-8-[(E)-3-oxo-1-butenyl]-2,3-dihydro-1,4-benzo-dioxin-2-yl}methyl 4-methylbenzenesulfonate
• 英文别名: (R)-{7-nitro-8-[(E)-3-oxo-1-butenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate；{(2R)-7-nitro-8-[(E)-3-oxo-1-butenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate；[(3R)-6-nitro-5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate
• CAS: 460354-00-1
• 化学式: C₂₀H₁₉NO₈S
• 分子量: 433.439
• InChiKey: JQTPZWLMOZQBPT-SBJJXXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  {(2R)-7-nitro-8-[(E)-3-oxo-1-butenyl]-2,3-dihydro-1,4-benzo-dioxin-2-yl}methyl 4-methylbenzenesulfonate 在 铁粉 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 [(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  [EN] ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS
  [FR] DERIVES CYCLOALKYLAMINE ANTIDEPRESSEURS DE BENZODIOXANES FUSIONNES AU NIVEAU DES HETEROCYCLES

  摘要：

  这些化合物的公式：I 对治疗抑郁症（包括但不限于重性抑郁障碍、儿童抑郁症和慢性抑郁症）、焦虑症、恐慌症、创伤后应激障碍、经前期情绪障碍（也称为经前综合征）、注意力缺陷障碍（有或无多动症）、强迫症、社交焦虑症、广泛性焦虑障碍、肥胖、饮食障碍、血管舒缩性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病具有益处。

  公开号：

  WO2004024732A1
• 作为产物：
  描述：

  [(2R)-8-Formyl-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methyl-benzenesulfonate 、 1-三苯基膦-2-丙酮 以 甲苯 为溶剂， 反应 5.0h， 生成 {(2R)-7-nitro-8-[(E)-3-oxo-1-butenyl]-2,3-dihydro-1,4-benzo-dioxin-2-yl}methyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  [EN] ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS
  [FR] DERIVES CYCLOALKYLAMINE ANTIDEPRESSEURS DE BENZODIOXANES FUSIONNES AU NIVEAU DES HETEROCYCLES

  摘要：

  这些化合物的公式：I 对治疗抑郁症（包括但不限于重性抑郁障碍、儿童抑郁症和慢性抑郁症）、焦虑症、恐慌症、创伤后应激障碍、经前期情绪障碍（也称为经前综合征）、注意力缺陷障碍（有或无多动症）、强迫症、社交焦虑症、广泛性焦虑障碍、肥胖、饮食障碍、血管舒缩性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病具有益处。

  公开号：

  WO2004024732A1

文献信息

• Antidepressant azaheterocyclymethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-f]quinoline
  申请人：Wyeth

  公开号：US06458802B1

  公开（公告）日：2002-10-01

  Compounds of the formula: are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa, bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  该公式化合物对抑郁症（包括但不限于重性抑郁障碍、儿童抑郁症和心境低落）、焦虑、恐慌障碍、创伤后应激障碍、经前期失调性障碍（也称为经前综合症）、注意力缺陷障碍（伴有和不伴有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖症、厌食症、暴食症、潮红、可卡因和酒精成瘾、性功能障碍及相关疾病的治疗具有用处。
• Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists
  申请人：Wyeth

  公开号：US20020183322A1

  公开（公告）日：2002-12-05

  Compounds of the formula 1 are useful for treating the cognitive deficits due to aging, stroke, head trauma, Alzheimer's disease or other neurodegenerative diseases, or schizophrenia, and are also useful for the treatment of disorders such as anxiety, aggression and stress, and for the control of various physiological phenomena, such eating disorders, disorders of thermoregulation, and sleep and sexual dysfunction.

  化合物的公式1对于治疗由老化、中风、头部创伤、阿尔茨海默病或其他神经退行性疾病、精神分裂症引起的认知缺陷很有用，并且还对治疗焦虑、攻击性和压力等疾病有用，同时对控制各种生理现象如进食障碍、体温调节障碍以及睡眠和性功能障碍也很有帮助。
• [EN] ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES<br/>[FR] DERIVES INDOLEALKYLE D'HETEROCYCLE DE BENZODIOXAN FUSIONNES METHYLAMINES EN TANT QU'ANTIDEPRESSEURS
  申请人：WYETH CORP

  公开号：WO2004024734A1

  公开（公告）日：2004-03-25

  Compounds of the Formula: are useful for the treatment of depression ( including but not limited to major depressive disorder, childhood depression and dysthymia). Anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as premenstrual syndrome), attention deficit disorder ( with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa, bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  这个公式的化合物对治疗抑郁症（包括但不限于重性抑郁障碍、儿童抑郁症和慢性抑郁症）非常有用。焦虑、恐慌障碍、创伤后应激障碍、经前期失调性障碍（也称为经前综合征）、注意力缺陷障碍（伴有或不伴有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖、厌食症、暴食症、血管运动性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病均有一定疗效。
• [EN] ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS<br/>[FR] DERIVES AZAHETEROCYCLYLMETHYLIQUES DE BENZODIOXANES A FUSION HETEROCYCLIQUE A EFFET ANTIDEPRESSEUR
  申请人：WYETH CORP

  公开号：WO2004024730A1

  公开（公告）日：2004-03-25

  Compounds of the Formula: are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as premenstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  该公式化合物用于治疗抑郁症（包括但不限于重度抑郁障碍、儿童抑郁和慢性抑郁）、焦虑症、恐慌障碍、创伤后应激障碍、经前期失调性障碍（也被称为经前综合症）、注意力缺陷障碍（伴有和不伴有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖、厌食症和暴食症、血管运动性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病。
• Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists
  申请人：Wyeth

  公开号：US20020193366A1

  公开（公告）日：2002-12-19

  Compounds of the formula 1 useful for the treatment of disorders, such as anxiety, aggression and stress, and for the control of various physiological phenomena, such as appetite, thermoregulation, sleep and sexual behavior.

  该公式的化合物用于治疗诸如焦虑、攻击性和压力等疾病，以及控制各种生理现象，如食欲、体温调节、睡眠和性行为。