(5-乙氧基-2-硝基苯基)甲醇 | 647843-25-2

• 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: (5-乙氧基-2-硝基苯基)甲醇
• 英文名称: (5-Ethoxy-2-nitro-phenyl)-methanol
• 英文别名: (5-Ethoxy-2-nitrophenyl)methanol
• CAS: 647843-25-2
• 化学式: C₉H₁₁NO₄
• 分子量: 197.191
• InChiKey: GVXPSPCAZUNPFS-UHFFFAOYSA-N

物化性质

• 沸点：
  360.4±27.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-乙氧基-2-硝基苯基)甲醇 在 钯 manganese(IV) oxide 、 氢气 、 溶剂黄146 、 肼 作用下， 以 乙醇 为溶剂， 生成 5-Ethoxy-2-(1,4,5,7-tetramethyl-pyrrolo[3,4-d]pyridazin-6-yl)-benzaldehyde
  参考文献：
  名称：

  Synthesis and biological evaluation of 6-aryl-6 H -pyrrolo[3,4- d ]pyridazine derivatives as high-affinity ligands of the α 2 δ subunit of voltage-gated calcium channels

  摘要：

  A novel class of 2H-pyrrolo[3,4-c]pyridazine ligands of the alpha(2)delta subunit of voltage-gated calcium channels is described. Compound 4a with high affinity toward alpha(2)delta was identified through structure-activity relationship studies of the lead compound. Tritiated ligand [H-3]-4b was synthesized to demonstrate that this ligand binds to the same site as Gabapentin toward alpha(2)delta subunit of voltage-gated calcium channels. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.070
• 作为产物：
  描述：

  溴乙烷 、 5-羟基-2-硝基苯甲醇 在 potassium carbonate 作用下， 生成 (5-乙氧基-2-硝基苯基)甲醇
  参考文献：
  名称：

  Synthesis and biological evaluation of 6-aryl-6 H -pyrrolo[3,4- d ]pyridazine derivatives as high-affinity ligands of the α 2 δ subunit of voltage-gated calcium channels

  摘要：

  A novel class of 2H-pyrrolo[3,4-c]pyridazine ligands of the alpha(2)delta subunit of voltage-gated calcium channels is described. Compound 4a with high affinity toward alpha(2)delta was identified through structure-activity relationship studies of the lead compound. Tritiated ligand [H-3]-4b was synthesized to demonstrate that this ligand binds to the same site as Gabapentin toward alpha(2)delta subunit of voltage-gated calcium channels. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.070

文献信息

• Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds
  申请人：Anker Burke Naomi

  公开号：US20060154929A1

  公开（公告）日：2006-07-13

  6H-pyrrolo[3,4-d]pyridazine compounds and methods of their use of as ligands of voltage gated calcium channels (VGCC), useful in the treatment of neuropathic pain, and psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, panic, and bipolar disorder, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm disorders, drug addiction, drug abuse, drug withdrawal and other.

  6H-吡咯并[3,4-d]吡嗪化合物及其作为电压门控钙通道（VGCC）配体的使用方法，可用于治疗神经病性疼痛、精神和情绪障碍，例如精神分裂症、焦虑、抑郁、惊恐和双相情感障碍，以及治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律紊乱、药物成瘾、药物滥用、戒断症状等。
• Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds
  申请人：Merck & Co. Inc.

  公开号：US07465730B2

  公开（公告）日：2008-12-16

  6H-pyrrolo[3,4-d]pyridazine compounds and methods of their use of as ligands of voltage gated calcium channels (VGCC), useful in the treatment of neuropathic pain, and psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, panic, and bipolar disorder, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm disorders, drug addiction, drug abuse, drug withdrawal and other.

  6H-吡咯并[3,4-d]吡嗪化合物及其作为电压门控钙通道（VGCC）配体的应用方法，可用于治疗神经病理性疼痛和精神和情绪障碍，例如精神分裂症、焦虑、抑郁、恐慌和躁症，以及治疗疼痛、帕金森氏病、认知功能障碍、癫痫、昼夜节律紊乱、药物成瘾、药物滥用、药物戒断等。
• S1P MODULATING AGENTS
  申请人：Biogen MA Inc.

  公开号：EP3150590A1

  公开（公告）日：2017-04-05

  Compounds of formula (I) or (II) can modulate the activity of SIP receptors. Compounds of formula (I) or (II) can modulate the activity of SIP receptors.

  式（I）或（II）化合物可调节 SIP 受体的活性。式（I）或（II）化合物可调节 SIP 受体的活性。
• TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS
  申请人：Merck & Co., Inc.

  公开号：EP1539168A2

  公开（公告）日：2005-06-15
• HERBIZID WIRKSAME 3-PHENYLISOXAZOLINDERIVATE
  申请人：Bayer CropScience AG

  公开号：EP2900645A1

  公开（公告）日：2015-08-05