1-(4-甲基苯基)-二甲酯 | 345618-40-8

• 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: 1-(4-甲基苯基)-二甲酯
• 英文名称: dimethyl-1-(4-methylphenyl)-1,2-cyclopropanedicarboxylate
• 英文别名: dimethyl cis-1-(p-tolyl)-1,2-cyclopropanedicarboxylate；Dimethyl 1-(p-tolyl)cyclopropane-1,2-dicarboxylate；dimethyl 1-(4-methylphenyl)cyclopropane-1,2-dicarboxylate
• CAS: 345618-40-8
• 化学式: C₁₄H₁₆O₄
• 分子量: 248.279
• InChiKey: WOKDELUPEGODJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917399090

反应信息

• 作为反应物：
  描述：

  1-(4-甲基苯基)-二甲酯 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 1.75h， 生成 1-(4-甲基苯基)-1,2-环丙烷二羧酸
  参考文献：
  名称：

  Polymorphs of bicifadine hydrochloride

  摘要：

  一种新的双环芬丹盐酸盐的多态晶型B，比先前已知的多态晶型A更具热力学稳定性，制备该晶型B的方法以及含有该晶型B的药物组合物。

  公开号：

  US20040102638A1
• 作为产物：
  描述：

  methyl bromo(4-methylphenyl)acetate 、 丙烯酸甲酯（MA） 以86%的产率得到
  参考文献：
  名称：

  EPSTEIN, J. W.;BRABANDER, H. J.;FANSHAWE, W. J.;HOFMANN, C. M.;MCKENZIE, +, J. MED. CHEM., 1981, 24, N 5, 481-490

  摘要：

  DOI：

文献信息

• Antipyretic compositions and methods
  申请人：Basile Anthony

  公开号：US20060100263A1

  公开（公告）日：2006-05-11

  Methods and compositions containing bicifadine are provided for the treatment and prevention of hyperthermia in mammalian subjects. The methods and compositions may be used to prevent or treat fever, pyresis, menopausal hot flashes; peri menopausal hot flashes, postmenopausal hot flashes, hot flashes caused by anti-estrogen therapy, hot flashes secondary to surgical removal of estrogen producing tissue, hot flashes caused by radiation therapy, malignant hyperthermia, serotonin syndrome, heat stroke, febrile seizures, and neuroleptic malignant syndrome, among other conditions. Additional compositions and methods are provided employing bicifadine to treat pyresis and simultaneously elicit an analgesic response in mammalian subjects. Yet additional compositions and methods are provided which employ bicifadine in combination with a second antipyretic agent, a second analgesic agent, or a different therapeutic agent to yield more effective antipyretic treatment tools, and/or dual activity therapeutic methods and formulations useful to prevent or reduce hyperthermia and one or more additional symptoms (e.g., pain, or depression) in mammalian subjects.

  提供了含有比西法丁的方法和组合物，用于治疗和预防哺乳动物主体的高热症。这些方法和组合物可用于预防或治疗发热、热症、绝经期潮热；围绝经期潮热、绝经后潮热、抗雌激素治疗引起的潮热、手术切除雌激素产生组织引起的潮热、放射治疗引起的潮热、恶性高热、血清素综合征、中暑、发热性抽搐以及其他症状。还提供了使用比西法丁治疗热症并同时引发哺乳动物主体镇痛反应的其他组合物和方法。此外，提供了使用比西法丁与第二种退热药物、第二种镇痛药物或不同的治疗药物结合以获得更有效的退热治疗工具，和/或用于预防或减轻哺乳动物主体的高热和一个或多个额外症状（如疼痛或抑郁）的双重活性治疗方法和配方。
• Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes
  申请人：Skolnick Phil

  公开号：US20060223875A1

  公开（公告）日：2006-10-05

  The invention provides novel 1-aryl-3-azabicyclo[3.1.0]hexanes that are active for modulating biogenic amine transport, along with compositions and methods for using these compounds to treat central nervous system disorders. Certain 1-aryl-3-azabicyclo[3.1.0]hexanes are provided that have at least one substituent on the aryl ring. In other embodiments 1-aryl-3-azabicyclo[3.1.0]hexanes are provided that have a substitution on the nitrogen at the ‘3’ position. In additional embodiments 1-aryl-3-azabicyclo[3.1.0]hexanes are provided which have one substitution on the aryl ring, as well as a substitution on the nitrogen at the ‘3’ position. The invention also provides novel methods of making aryl- and aza-substituted 1-aryl-3-azabicyclo[3.1.0]hexanes, including synthetic methods that form novel intermediate compounds of the invention for producing aryl- and aza-substituted 1-aryl-3-azabicyclo[3.1.0]hexanes.

  本发明提供了新型的1-芳基-3-氮杂双环[3.1.0]己烷，它们对生物胺转运的调节具有活性，以及使用这些化合物治疗中枢神经系统疾病的组合物和方法。提供了某些1-芳基-3-氮杂双环[3.1.0]己烷，其在芳基环上至少有一个取代基。在其他实施例中，提供了在“3”位的氮上有取代基的1-芳基-3-氮杂双环[3.1.0]己烷。在其他实施例中，提供了在芳基环上有一个取代基以及在“3”位的氮上有一个取代基的1-芳基-3-氮杂双环[3.1.0]己烷。本发明还提供了制备芳基和氮取代的1-芳基-3-氮杂双环[3.1.0]己烷的新方法，包括形成本发明的新中间化合物的合成方法，用于生产芳基和氮取代的1-芳基-3-氮杂双环[3.1.0]己烷。
• Methods and compositions for the treatment of neuropathies and related disorders
  申请人：Lippa S. Arnold

  公开号：US20070082939A1

  公开（公告）日：2007-04-12

  The present invention provides novel compositions and methods for treating symptoms associated with neuropathic disorders such as hyperalgesia, allodynia, and parasthesias, using a 1-aryl-3-azabicyclo[3.1.0] hexane. The invention further relates to the use of 1-aryl-3-azabicyclo[3.1.0] hexanes in pharmaceutical compositions and methods for treating neuropathic disorders and related symptoms in mammals. Patients amenable to treatment according to the invention include those suffering from diabetic neuropathies, post-herpetic neuralgia, trigeminal neuralgia, chronic lower back pain, sciatica, idiopathic and post-traumatic neuropathies, HIV-associated neuropathic pain, among many other neuropathic disorders and related symptoms.

  本发明提供了一种新型组合物和方法，用于治疗与神经病理性疾病相关的症状，如过度疼痛、触痛和感觉异常，使用1-芳基-3-氮杂双环[3.1.0]己烷。本发明还涉及在制药组合物中使用1-芳基-3-氮杂双环[3.1.0]己烷以及治疗哺乳动物神经病理性疾病和相关症状的方法。根据本发明可治疗的患者包括患有糖尿病神经病变、带状疱疹后遗神经痛、三叉神经痛、慢性腰痛、坐骨神经痛、特发性和创伤后神经病变、HIV相关神经病理性疼痛等许多神经病理性疾病和相关症状的患者。
• EPSTEIN, J. W.;BRABANDER, H. J.;FANSHAWE, W. J.;HOFMANN, C. M.;MCKENZIE, +, J. MED. CHEM., 1981, 24, N 5, 481-490
  作者：EPSTEIN, J. W.、BRABANDER, H. J.、FANSHAWE, W. J.、HOFMANN, C. M.、MCKENZIE, +

  DOI：——

  日期：——
• Methods and compositions for the treatment of urinary incontinence
  申请人：Skolnick Phil

  公开号：US20080009538A1

  公开（公告）日：2008-01-10

  Methods and compositions containing bicifadine are provided for the prevention and treatment of lower urinary tract disorders in mammalian subjects. The methods and compositions may be used to prevent or treat urinary incontinence, urinary urgency, nocturia, and enuresis associated with neurogenic and non-neurogenic overactive bladder, interstitial cystitis, prostatitis, prostadynia, and benign prostatic hyperplasia, among other conditions. Additional compositions and methods are provided which employ bicifadine in combination with a second anti-incontinence agent, or a different therapeutic agent to yield more effective anti-incontinence treatment tools, and/or dual activity therapeutic methods and formulations useful to prevent or reduce urinary incontinence and one or more additional symptoms such as urinary urgency, overflow, frequency, or pain in mammalian subjects.