(S)-α-[m-(trifluoromethyl)phenoxy]-p-chlorophenylacetic acid | 23953-40-4

• 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: (S)-α-[m-(trifluoromethyl)phenoxy]-p-chlorophenylacetic acid
• 英文别名: (S)-2-(4-chlorophenyl)-2-((3-trifluoromethyl)phenoxy)acetic acid；(S)-halofenic acid；(2s)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid；(2S)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid
• CAS: 23953-40-4
• 化学式: C₁₅H₁₀ClF₃O₃
• 分子量: 330.691
• InChiKey: DDTQLPXXNHLBAB-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  (S)-α-[m-(trifluoromethyl)phenoxy]-p-chlorophenylacetic acid 、 rac-(1R,2S)-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester 以 正己烷 、 乙酸乙酯 为溶剂， 反应 1.0h， 以102 mg的产率得到(1R,2S)-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester (S)-α-[m-(trifluoromethyl)phenoxy]-p-chlorophenyl acetate
  参考文献：
  名称：

  METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY

  摘要：

  公开号：

  EP2586769B1

文献信息

• Resolution of alpha-(phenoxy) phenylacetic acid derivatives with naphthyl-alkylamines
  申请人：Cheng Peng

  公开号：US20070073082A1

  公开（公告）日：2007-03-29

  The present invention provides a methods and compounds for producing an enantiomerically enriched α-(phenoxy)phenylacetic acid compound of the formula: from a mixture of its enantiomers, where R 1 is alkyl or haloalkyl and X is halide.

  本发明提供了一种方法和化合物，用于从其对映体混合物中产生公式为的对映富集的α-(苯氧基)苯乙酸化合物： 其中R1为烷基或卤代烷基，X为卤素。
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND HEPATIC DISEASES<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT D'ANOMALIES DU CYCLE DE L'URÉE ET DE MALADIES HÉPATIQUES
  申请人：RAO M SURYA

  公开号：WO2017090007A1

  公开（公告）日：2017-06-01

  The compositions and compounds of formula I, formula II, formula III which includes a molecular conjugate with ornithine or its polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection administration. Such compositions may be used to the treatment of urea cycle disorders and hepatic diseases or its associated complications.

  公式I、公式II、公式III的组合物和化合物包括与鸟氨酸或其多态体、对映体、立体异构体、溶剂合物和水合物形成的分子共轭物。这些盐可以制成药物组合物。药物组合物可以制成口服、颊粘膜、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射给药的制剂。这些组合物可以用于治疗尿素循环紊乱和肝脏疾病或其相关并发症。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT
  申请人：Alapati Mohan Murali

  公开号：US20160332950A1

  公开（公告）日：2016-11-17

  The disclosures herein provide compounds of Formula I, Formula II, Formula III, Formula IV, Formula V, Formula VI and Formula VII or its pharmaceutical acceptable compositions and salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. The pharmaceutical compositions may be formulated for oral administration, delayed release or sustained release, transmucosal, syrup, topical, parenteral administration, injection, subdermal, oral solution, rectal administration, nanoparticle, buccal administration or transdermal administration. Such compositions may be used to treatment of urea cycle disorders and gout or its associated complications.
• US9475747B1
  申请人：——

  公开号：US9475747B1

  公开（公告）日：2016-10-25
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT D'ANOMALIES DU CYCLE DE L'URÉE ET DE LA GOUTTE
  申请人：MOHAN M ALAPATI

  公开号：WO2016181199A1

  公开（公告）日：2016-11-17

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V, formula VI and formula VII or its pharmaceutical acceptable compositions and salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. The pharmaceutical compositions may be formulated for oral administration, delayed release or sustained release, transmucosal, syrup, topical, parenteral administration, injection, subdermal, oral solution, rectal administration, nanoparticle, buccal administration or transdermal administration. Such compositions may be used to treatment of urea cycle disorders and gout or its associated complications.