2-Methyl-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde | 726136-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Methyl-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde
• 英文别名: 3-methyl-4-[2-(trifluoromethyl)phenyl]benzaldehyde
• CAS: 726136-61-4
• 化学式: C₁₅H₁₁F₃O
• 分子量: 264.24
• InChiKey: KNWLRBCQTDOTPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methyl-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde 、 α-(甲氨甲基)苯甲醇 、 三乙酰氧基硼氢化钠 在 crude product 、 乙腈 、 水 、 三氟乙酸 作用下， 以to provide the title compound (0.267 g, 40%) as its TFA salt的产率得到alpha-[[Methyl[[2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
  参考文献：
  名称：

  Cb 1/cb 2 receptor ligands and their use in the treatment of pain

  摘要：

  公式（I）的化合物或其药学上可接受的盐，其中Ar1？，Ar2？，R1？，R2？，n和X的定义如规范所述，以及包括这些化合物的盐和制药组合物已经制备出来。它们在治疗中有用，特别是在疼痛管理中。

  公开号：

  US20060052315A1
• 作为产物：
  描述：

  2-methyl-2’-(trifluoromethyl)biphenyl-4-carboxylic acid 、 、 10,11-二氢-5H-苯并[E]吡咯并[1,2-a][1,4]二氮杂卓 、 N,N-二异丙基乙胺 在 氯化亚砜 、 甲苯 、 acid chloride 、 水 、 盐酸 、 sodium hydroxide 、 Brine 、 Sodium sulfate-III 、 silica gel 、 乙酸乙酯 、 正己烷 、 Ethanol hexane 作用下， 以 氯化亚砜 、 二氯甲烷 为溶剂， 反应 3.5h， 以to provide the title compound (0.55 g) as a white solid, m.p. 127–130° C.的产率得到2-Methyl-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde
  参考文献：
  名称：

  Tricyclic diazepines tocolytic oxytocin receptor antagonists

  摘要：

  本发明提供了新型三环二氮杂平化合物，以及利用这些化合物的方法和制药组合物，用于治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病，包括早产、痛经、子宫内膜炎和在剖腹产前抑制分娩。这些化合物还可用于提高农业动物的生育率、生存率和同步发情；并且可能有助于预防和治疗中枢神经系统中催产素系统的功能障碍，包括强迫症(OCD)和神经精神障碍。

  公开号：

  US07109193B2

文献信息

• Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US20030055047A1

  公开（公告）日：2003-03-20

  This invention provides novel substituted tricyclic pyridyl carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea, endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了一种新型的取代三环吡啶基羧酰胺，其作为催产素受体竞争性拮抗剂，以及其制造方法、药物组合物和在治疗、抑制、抑制或预防早产、痛经、子宫内膜炎、在剖腹产前期抑制分娩以及促进产前转运到医疗设施方面的使用方法。这些化合物还可用于提高农场动物的生育率、生存率和同步发情，并可用于预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症（OCD）和神经精神障碍。
• Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists
  申请人：Failli Amedeo Arturo

  公开号：US06900200B2

  公开（公告）日：2005-05-31

  This invention provides novel substituted tricyclic carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea and endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  该发明提供了新型的取代三环羧酰胺，其作为催产素受体竞争性拮抗剂，并提供其制造方法、药物组合物以及在治疗、抑制、压制或预防早产、痛经和子宫内膜炎、在剖腹产前抑制足月分娩以及促进孕妇前往医疗机构的使用方法。这些化合物还可用于提高农业动物的生育率、提高生存率和同步发情；并且可能有助于预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症和神经精神障碍。
• Tricyclic diazepines tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US07109193B2

  公开（公告）日：2006-09-19

  This invention provides novel tricyclic diazepine compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including treatment of preterm labor, dysmenorrhea, endometritis, and for suppressing labor prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了新型三环二氮杂平化合物，以及利用这些化合物的方法和制药组合物，用于治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病，包括早产、痛经、子宫内膜炎和在剖腹产前抑制分娩。这些化合物还可用于提高农业动物的生育率、生存率和同步发情；并且可能有助于预防和治疗中枢神经系统中催产素系统的功能障碍，包括强迫症(OCD)和神经精神障碍。
• Cb 1/cb 2 receptor ligands and their use in the treatment of pain
  申请人：Leung Carmen

  公开号：US20060052315A1

  公开（公告）日：2006-03-09

  Compounds of formula (I) or pharmaceutically acceptable salts thereof wherein Ar 1?, Ar 2?, R 1?, R 2?, n and X are as defined in the specifications well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  公式（I）的化合物或其药学上可接受的盐，其中Ar1？，Ar2？，R1？，R2？，n和X的定义如规范所述，以及包括这些化合物的盐和制药组合物已经制备出来。它们在治疗中有用，特别是在疼痛管理中。
• Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US07064120B2

  公开（公告）日：2006-06-20

  This invention provides novel substituted tricyclic pyridyl carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea, endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了一种新型的取代三环吡啶基羧酰胺，其作为催产素受体竞争性拮抗剂，以及它们的制造方法、制药组合物和在治疗、抑制、压制或预防早产、痛经、子宫内膜炎、剖腹产前晚期抑制分娩以及促进孕前转运至医疗设施方面的使用方法。这些化合物还可用于增强农业动物的生育率、生存率和同步发情；并且可能有助于预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症(OCD)和神经精神障碍。