3,4-Dihydro-1H-2-benzopyran-4-acetaldehyde | 138036-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,4-Dihydro-1H-2-benzopyran-4-acetaldehyde
• 英文别名: 2-(3,4-dihydro-1H-isochromen-4-yl)acetaldehyde
• CAS: 138036-86-9
• 化学式: C₁₁H₁₂O₂
• 分子量: 176.215
• InChiKey: CQYSDDLZDMPIBX-UHFFFAOYSA-N

物化性质

• 沸点：
  312.5±22.0 °C(Predicted)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(2-iodo-benzyloxy)-but-2-en-1-ol 在 palladium diacetate 、 三苯基膦 三乙胺 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以74%的产率得到3,4-Dihydro-1H-2-benzopyran-4-acetaldehyde
  参考文献：
  名称：

  Intramolecular Heck reaction with substrates possessing an allylic alcohol moiety

  摘要：

  In this paper we report our investigation on a series of palladium catalysed cyclisations with substrates possessing an allylic alcohol moiety. This methodology provides a good approach to a wide variety of functionalised 5 or 6 membered carbo- or heterocycles. We also demonstrate that it is possible to combine an alkylation and a cyclisation process using the same palladium catalyst system.

  DOI：

  10.1016/0040-4039(91)80766-y

文献信息

• [EN] DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS<br/>[FR] INHIBITEURS DOUBLES DE NAV1.2/5HT2A POUR TRAITER DES TROUBLES DU SNC
  申请人：SUNOVION PHARMACEUTICALS INC

  公开号：WO2018026371A1

  公开（公告）日：2018-02-08

  Compounds of formula I: I are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.

  公开了化学式I的化合物，以及含有这些化合物的药物组合物。还公开了治疗患有神经系统或精神障碍的患者的方法。这些障碍包括抑郁症、躁郁症、疼痛、精神分裂症、强迫症、成瘾、社交障碍、注意力缺陷多动障碍、焦虑障碍、自闭症、认知障碍，或神经精神症状，如冷漠、抑郁、焦虑、精神病、攻击性、激动、冲动控制障碍，以及在神经系统疾病如阿尔茨海默病和帕金森病中的睡眠障碍。
• Dual NAV1.2/5HT2a inhibitors for treating CNS disorders
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US11186564B2

  公开（公告）日：2021-11-30

  Compounds of formula I: are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.

  式 I 的化合物： 以及含有此类化合物的药物组合物。还公开了治疗有需要的患者的神经或精神障碍的方法。此类疾病包括抑郁症、双相情感障碍、疼痛、精神分裂症、强迫症、成瘾症、社交障碍、注意力缺陷多动障碍、焦虑症、自闭症、认知障碍或神经精神症状，如冷漠、抑郁、焦虑、精神病、攻击性、激动、冲动控制障碍，以及神经系统疾病如阿尔茨海默病和帕金森病的睡眠障碍。
• Intramolecular Heck reaction with substrates possessing an allylic alcohol moiety
  作者：Jean-Marc Gaudin

  DOI：10.1016/0040-4039(91)80766-y

  日期：1991.10

  In this paper we report our investigation on a series of palladium catalysed cyclisations with substrates possessing an allylic alcohol moiety. This methodology provides a good approach to a wide variety of functionalised 5 or 6 membered carbo- or heterocycles. We also demonstrate that it is possible to combine an alkylation and a cyclisation process using the same palladium catalyst system.