1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone oxime | 474534-30-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone oxime
• 英文别名: (S)-1-[5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone oxime；1-[5-hydroxy-(3S)-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone oxime；1-[(3S)5-hydroxy-3-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-ethanone oxime；(3S)-3-(hydroxymethyl)-6-(N-hydroxy-C-methylcarbonimidoyl)-2,3-dihydro-1,4-benzodioxin-5-ol
• CAS: 474534-30-0
• 化学式: C₁₁H₁₃NO₅
• 分子量: 239.228
• InChiKey: FHDAHFRZNOTSLD-ZETCQYMHSA-N

物化性质

• 沸点：
  438.7±45.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.5
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone oxime 在 三氯氧磷 作用下， 以 N,N-二甲基乙酰胺 、 乙腈 为溶剂， 反应 48.0h， 以75%的产率得到[(8S)-2-methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]-benz-oxazol-8-yl]methanol
  参考文献：
  名称：

  [EN] ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES
  [FR] DERIVES INDOLEALKYLE D'HETEROCYCLE DE BENZODIOXAN FUSIONNES METHYLAMINES EN TANT QU'ANTIDEPRESSEURS

  摘要：

  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。

  公开号：

  WO2004024734A1
• 作为产物：
  描述：

  1-[(3S)-5-hydroxy-3-(hydroxy-methyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone 在 盐酸羟胺 作用下， 以 吡啶 、 乙醇 为溶剂， 反应 5.0h， 以93%的产率得到1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-ethanone oxime
  参考文献：
  名称：

  [EN] ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES
  [FR] DERIVES INDOLEALKYLE D'HETEROCYCLE DE BENZODIOXAN FUSIONNES METHYLAMINES EN TANT QU'ANTIDEPRESSEURS

  摘要：

  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。

  公开号：

  WO2004024734A1

文献信息

• [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。
• [EN] ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS<br/>[FR] DERIVES PIPERIDINE D'HETEROCYCLE DE BENZODIOXANS FUSIONNES EN TANT QU'ANTIDEPRESSEURS
  申请人：WYETH CORP

  公开号：WO2004024733A1

  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, chi ldhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as premenstrual syndrome), attention deficit disorder (wit h 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（包括但不限于重性抑郁障碍、儿童抑郁和忧郁症）、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（有和无多动症）、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。
• [EN] ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS<br/>[FR] DERIVES CYCLOALKYLAMINE ANTIDEPRESSEURS DE BENZODIOXANES FUSIONNES AU NIVEAU DES HETEROCYCLES
  申请人：WYETH CORP

  公开号：WO2004024732A1

  公开（公告）日：2004-03-25

  Compounds of the formula: I 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, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  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。
• Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans
  申请人：——

  公开号：US20040171667A1

  公开（公告）日：2004-09-02

  Compounds of the formula: 1 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, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式为1的化合物用于治疗抑郁症（包括但不限于重性抑郁障碍、儿童抑郁症和持续性情感低落）、焦虑症、恐慌症、创伤后应激障碍、经前期情感失调障碍（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、肥胖症、进食障碍、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的治疗。
• Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans
  申请人：Webb Michael Byron

  公开号：US20090042895A1

  公开（公告）日：2009-02-12

  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 and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式为：的化合物可用于治疗抑郁症（包括但不限于重度抑郁症、儿童抑郁症和心境恶劣）、焦虑症、恐慌症、创伤后应激障碍、经前期症候群（也称经前综合征）、注意力缺陷多动障碍（有和无过动症）、强迫症、社交焦虑症、广泛性焦虑症、肥胖症、饮食失调如厌食症和贪食症、潮红、可卡因和酒精成瘾、性功能障碍及相关疾病。