2-(3,5-difluorophenyl)propanoic acid | 263162-45-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-(3,5-difluorophenyl)propanoic acid
• CAS: 263162-45-4
• 化学式: C₉H₈F₂O₂
• 分子量: 186.158
• InChiKey: MLZLGSOLBOLYJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  (2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methanamine 、 2-(3,5-difluorophenyl)propanoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3,5-Difluorophenyl)-N-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)propanamide
  参考文献：
  名称：

  2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists

  摘要：

  DOI：

  10.1016/j.bmcl.2021.128266
• 作为产物：
  描述：

  2-(3,5-二氟苯基)乙酸乙酯 在 sodium hydride 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-(3,5-difluorophenyl)propanoic acid
  参考文献：
  名称：

  2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists

  摘要：

  DOI：

  10.1016/j.bmcl.2021.128266

文献信息

• Heterocycle-substituted 3-alkyl azetidine derivatives
  申请人：Baker K. Robert

  公开号：US20070123505A1

  公开（公告）日：2007-05-31

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, Alzheimer's disease, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, cirrhosis of the liver, non-alcoholic fatty liver disease (NAFLD), and non-alcoholic steatohepatitis (NASH).

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，并且在治疗、预防和抑制由CB1受体介导的疾病方面具有用处。本发明的化合物在治疗精神病、记忆缺陷、认知障碍、阿尔茨海默病、偏头痛、神经病、神经炎症性疾病（包括多发性硬化症和吉兰-巴雷综合征）、病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症中作为中枢作用药物具有用处。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍的治疗，以及治疗哮喘、便秘、慢性肠道假性梗阻、肝硬化、非酒精性脂肪肝病（NAFLD）和非酒精性脂肪性肝炎（NASH）。
• [EN] COMPOUNDS USEFUL IN HIV THERAPY<br/>[FR] COMPOSÉS UTILES DANS LA THÉRAPIE DU VIH
  申请人：VIIV HEALTHCARE CO

  公开号：WO2021194828A1

  公开（公告）日：2021-09-30

  The invention relates to compounds of Formula (I), salts thereof, pharmaceutical compositions thereof, as well as methods of treating or preventing HIV in subjects.

  这项发明涉及公式（I）的化合物，其盐，药物组合物，以及治疗或预防HIV的方法。
• 1,3,2‐Diazaphospholenes Catalyze the Conjugate Reduction of Substituted Acrylic Acids
  作者：John H. Reed、Nicolai Cramer

  DOI：10.1002/cctc.202000662

  日期：2020.9.4

  nucleophilicity and remarkably low basicity of 1,3,2‐diazaphospholenes (DAPs) is exploited in a catalytic, metal‐free 1,4‐reduction of free α,β‐unsaturated carboxylic acids. Notably, the reduction occurs without a prior deprotonation of the carboxylic acid moiety and hence does not consume an additional hydride equivalent. This highlights the excellent nucleophilic character and low basicity of DAP‐hydrides

  1,3,2-二氮杂磷烯（DAP）的强亲核性和极低的碱性被用于催化的，无金属的1,4-还原的游离α，β-不饱和羧酸的催化作用。值得注意的是，还原反应是在没有羧酸部分预先去质子化的情况下发生的，因此不消耗额外的氢化物当量。这突出了DAP氢化物的出色的亲核特性和低碱度。在DAP催化过程中，对传统的过渡金属催化剂可能存在问题的Cbz基团或卤代烷等官能团具有很好的耐受性。此外，该转变的特征在于催化剂负载低，在环境温度下温和的反应条件以及快速的反应时间和高产率。描述了催化对映体选择形式的原理证明。
• [EN] SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES<br/>[FR] DERIVES 3-ALKYLE ET 3-ALCENYLE AZETIDINE SUBSTITUES
  申请人：MERCK & CO INC

  公开号：WO2005000809A1

  公开（公告）日：2005-01-06

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson’s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，并且在治疗、预防和抑制由CB1受体介导的疾病方面具有用途。本发明的化合物在治疗精神病、记忆缺陷、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和吉兰-巴雷综合征）、病毒性脑炎、脑血管事故和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症方面作为中枢作用药物具有用途。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍的治疗，以及治疗哮喘、便秘、慢性肠道假性梗阻和肝硬化。
• Acylaminothiazole derivatives, their preparation and therapeutic use
  申请人：——

  公开号：US20040171643A1

  公开（公告）日：2004-09-02

  The invention concerns a compound of general formula (I), wherein: X represents an oxygen or sulphur atom; R 1 represents, independently of each other when n=2 or 3, a halogen atom, a hydroxy, a C 1 -C 3 alkyl, a C 1 -C 3 alkoxy, a trifluoromethyl, a trifluoromethyloxy or a methylenedioxy; R 2 represents a C 1 -C 6 alkyl group optionally substituted, a C 3 -C 7 cycloalkyl, piperidinyl or phenyl group, the C 3 -C 7 cycloalkyl, piperidinyl or phenyl groups being optionally substituted; R 3 represents a hydrogen atom or a C 1 -C 6 alkyl group optionally substituted; R 4 represents a hydrogen atom or a C 1 -C4 alkyl group; and R 5 and R 5′ represent, independently of each other, a hydrogen atom, a hydroxy, a halogen atom, a C 1 -C 3 alkyl group, or R 5 and R 5′ form together an oxo group; R 6 represents a hydrogen atom, a halogen atom, a C 1 -C 3 alkyl, a C 1 -C 3 alkoxy, a trifluoromethyl, or a trifluoromethoxy; in the form of a base, addition to an acid, hydrate or solvate. The invention is applicable in therapy. 1

  这项发明涉及一种通式(I)的化合物，其中：X代表氧或硫原子；R1代表，当n=2或3时独立地表示卤素原子、羟基、C1-C3烷基、C1-C3烷氧基、三氟甲基、三氟甲氧基或亚甲二氧基；R2代表可选地取代的C1-C6烷基基团、C3-C7环烷基、哌啶基或苯基，其中C3-C7环烷基、哌啶基或苯基可选地取代；R3代表氢原子或可选地取代的C1-C6烷基基团；R4代表氢原子或C1-C4烷基基团；R5和R5′独立地表示氢原子、羟基、卤素原子、C1-C3烷基基团，或者R5和R5′一起形成醛基；R6代表氢原子、卤素原子、C1-C3烷基、C1-C3烷氧基、三氟甲基或三氟甲氧基；以碱、酸盐、水合物或溶剂化合物的形式存在。该发明适用于治疗。