4-hydroxy-5-methylpentan-2-one | 56072-26-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxy-5-methylpentan-2-one
• 英文别名: 4-hydroxyhexan-2-one；4-Hydroxy-hexan-2-on；Hexanol-(4)-on-(2)；Aethyl-acetonyl-carbinol；Methyl-(β-oxy-butyl)-keton；4-Hydroxy-2-hexanal
• CAS: 56072-26-5
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: ODWYTDVNWFBCLV-UHFFFAOYSA-N

物化性质

• 沸点：
  112-120 °C(Press: 23 Torr)
• 密度：
  0.95073 g/cm3(Temp: 418 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-hydroxy-5-methylpentan-2-one 生成 3-己烯-2-酮
  参考文献：
  名称：

  Pastureau; Bader, Roczniki Chemii, vol. 7, p. 100

  摘要：

  DOI：
• 作为产物：
  描述：

  丙醛 、 丙酮 在 lithium diisopropyl amide 作用下， 生成 4-hydroxy-5-methylpentan-2-one
  参考文献：
  名称：

  直接甲基化作为合成1,3-多元醇的途径

  摘要：

  考察了β-羟醛和酮与甲基烯丙基硼酸的直接甲基烯丙基化作用。该反应对酮具有良好或优异的选择性。

  DOI：

  10.1016/s0040-4039(98)00182-8

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF COUGH
  申请人：Kandula Mahesh

  公开号：US20150133533A1

  公开（公告）日：2015-05-14

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for treating or preventing cough may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of acute respiratory tract infections, asthma, gout, fibromyalgia, facilitating conception, promotes secondary mucosal secretions in the respiratory system, muscle relaxant, allergy, asthma, chronic obstructive pulmonary disorders, spasms, respiratory and neurological diseases.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于治疗或预防咳嗽的方法可以制备为口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射。这种组合物可用于治疗急性呼吸道感染、哮喘、痛风、纤维肌痛、促进受孕、促进呼吸系统中的次级粘膜分泌、肌肉松弛剂、过敏、哮喘、慢性阻塞性肺疾病、痉挛、呼吸和神经系统疾病。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：Kandula Mahesh

  公开号：US20160122332A1

  公开（公告）日：2016-05-05

  The invention relates to the compounds of formula I and formula IA or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I and formula IA; and methods for treating or preventing neurological diseases may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of epilepsy, bipolar disorder, trigeminal neuralgia, attention-deficit hyperactivity disorder (ADHD), schizophrenia, neuropathic pain, seizures, bipolar disorder, mania, phantom limb syndrome, complex regional pain syndrome, paroxysmal extreme pain disorder, neuromyotonia, intermittent explosive disorder, borderline personality disorder, Myotonia congenita and post-traumatic stress disorder.

  该发明涉及公式I和公式IA的化合物或其药用可接受盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I和公式IA化合物的药物组合物；以及用于口服、颊内、直肠、局部、经皮、经粘膜、静脉内、肠外给药、糖浆或注射的治疗或预防神经系统疾病的方法。这些组合物可用于治疗癫痫、躁郁症、三叉神经痛、注意缺陷多动障碍（ADHD）、精神分裂症、神经痛、癫痫发作、躁郁症、狂躁症、幻肢综合征、复杂性区域性疼痛综合征、阵发性极端疼痛综合征、神经肌痉挛、间歇性爆发障碍、边缘人格障碍、先天性肌张力过高症和创伤后应激障碍。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN
  申请人：Kandula Mahesh

  公开号：US20150141479A1

  公开（公告）日：2015-05-21

  The invention relates to the compounds of formula I and formula II or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I or formula II, and methods for treating or preventing or modulating moderate to severe pain in a disease may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of pain, severe pain, chronic pain, chemotherapy induced pain, epilepsy, glaucoma, arthritis, tooth aches, inflammation, musculoskeletal pain, sciatica, radiculopathy pain, migraine, neuropathic pain, post herpetic neuralgia, neuralgia pain, multiple sclerosis, multiple sclerosis, restless legs syndrome (RLS), cluster headache, depression, fibromyalgia, amyotrophic lateral sclerosis (ALS), convulsions, partial seizures, mood-stabilizing agent and bipolar disorder.

  该发明涉及式I和式II的化合物或其药用盐，以及其多晶体、溶剂合物、对映体、立体异构体和水合物。包含有效量的式I或式II化合物的药物组合物，以及用于治疗、预防或调节疾病中中度至严重疼痛的方法可以制备为口服、颊下、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射。这些组合物可用于治疗疼痛、严重疼痛、慢性疼痛、化疗诱导疼痛、癫痫、青光眼、关节炎、牙痛、炎症、肌肉骨骼疼痛、坐骨神经痛、神经根痛、偏头痛、神经性疼痛、带状疱疹后神经痛、神经痛、多发性硬化症、多发性硬化症、不安腿综合症（RLS）、集束性头痛、抑郁症、纤维肌痛、肌萎缩侧索硬化症（ALS）、抽搐、部分性癫痫、情绪稳定剂和躁郁症的药物组合物。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEPRESSION
  申请人：Kandula Mahesh

  公开号：US20150119453A1

  公开（公告）日：2015-04-30

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for treating or preventing depression may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of major depressive disorder (MDD), anxiety, neurological diseases, general anxiety disorder, social phobia, panic disorder, vasomotor symptoms, diabetic neuropathy, epilepsy, bipolar disorder, migraine, schizophrenia, cancer, menopause, HIV and familial adenomatous polyposis.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括公式I化合物的有效量的药物组合物，以及用于治疗或预防抑郁症的方法可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射剂。这些组合物可用于治疗重性抑郁障碍（MDD）、焦虑、神经系统疾病、广泛性焦虑障碍、社交恐惧症、惊恐障碍、血管运动症状、糖尿病神经病变、癫痫、躁狂障碍、偏头痛、精神分裂症、癌症、更年期、HIV和家族性腺瘤性息肉症的治疗。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS
  申请人：KANDULA Mahesh

  公开号：US20150111932A1

  公开（公告）日：2015-04-23

  The invention relates to the compounds of formula I and formula II or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I or formula II; and methods for treating or preventing neurological degenerative disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of Parkinson's disease (PD), restless legs syndrome (RLS), cluster headache, depression, fibromyalgia, sexual dysfunction, amyotrophic lateral sclerosis (ALS), also known as Lou Gehrig's disease and depression.

  该发明涉及公式I和公式II或其药学上可接受的盐的化合物，以及其多型、溶剂合物、对映体、立体异构体和水合物。含有公式I或公式II化合物的有效量的药物组合物；以及用于治疗或预防神经退行性疾病的方法可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射剂。这种组合物可用于治疗帕金森病（PD）、不安腿综合征（RLS）、集束性头痛、抑郁症、纤维肌痛、性功能障碍、肌萎缩侧索硬化症（ALS），又称路易·盖里格病和抑郁症。