2-[3-氯-5-(三氟甲基)-2-吡啶基]乙酸甲酯 | 885949-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-[3-氯-5-(三氟甲基)-2-吡啶基]乙酸甲酯
• 英文名称: methyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)acetate
• 英文别名: methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate
• CAS: 885949-63-3
• 化学式: C₉H₇ClF₃NO₂
• 分子量: 253.608
• InChiKey: KORSBDKODWUAHP-UHFFFAOYSA-N

物化性质

• 熔点：
  38～40℃
• 沸点：
  239.2±35.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[3-氯-5-(三氟甲基)-2-吡啶基]乙酸甲酯 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]ethanol
  参考文献：
  名称：

  NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS

  摘要：

  本文披露了一种具有化学式（I）的化合物，或其药学上可接受的盐：本文还披露了本文披露的化合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含本文披露的化合物的组合物。本文还披露了组合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。

  公开号：

  US20190144433A1
• 作为产物：
  描述：

  2-(3-氯-5-三氟甲基吡啶)-丙二酸二甲酯 以 二甲基亚砜 为溶剂， 生成 2-[3-氯-5-(三氟甲基)-2-吡啶基]乙酸甲酯
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING SUBSTITUTED BENZAMIDES
  [FR] PROCÉDÉ DE PRÉPARATION DE BENZAMIDES SUBSTITUÉS

  摘要：

  The present invention relates to new intermediates for the preparation of pyridylmethylbenzamides via substituted hydroxyiminopyridines or acetamidopyridines, and their innovative preparation processes. The invention discloses, in particular, the total synthesis of fluopicolide fungicide. The preparation of the main substances of the fluopicolide synthesis, specifically, substituted pyridine-2-ylmethanamine or its salt, is disclosed via two different synthesis routes, comprises two novel substances.

  公开号：

  WO2024013736A1

文献信息

• Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10647705B2

  公开（公告）日：2020-05-12

  Disclosed herein is a compound of formula (I), or a pharmaceutically acceptable salt thereof: Also disclosed herein are uses of a compound disclosed herein in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising a compound disclosed herein. Further disclosed herein are uses of a composition in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文公开了一种式 (I) 化合物或其药学上可接受的盐： 本文还公开了本文公开的化合物在潜在治疗或预防 IDO 相关疾病或紊乱中的用途。本文还公开了包含本文公开的化合物的组合物。本文还公开了一种组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。
• NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20190144433A1

  公开（公告）日：2019-05-16

  Disclosed herein is a compound of formula (I), or a pharmaceutically acceptable salt thereof: Also disclosed herein are uses of a compound disclosed herein in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising a compound disclosed herein. Further disclosed herein are uses of a composition in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文披露了一种具有化学式（I）的化合物，或其药学上可接受的盐：本文还披露了本文披露的化合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含本文披露的化合物的组合物。本文还披露了组合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。
• [EN] PROCESS FOR PREPARING SUBSTITUTED BENZAMIDES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE BENZAMIDES SUBSTITUÉS
  申请人：[en]ADAMA MAKHTESHIM LTD.

  公开号：WO2024013736A1

  公开（公告）日：2024-01-18

  The present invention relates to new intermediates for the preparation of pyridylmethylbenzamides via substituted hydroxyiminopyridines or acetamidopyridines, and their innovative preparation processes. The invention discloses, in particular, the total synthesis of fluopicolide fungicide. The preparation of the main substances of the fluopicolide synthesis, specifically, substituted pyridine-2-ylmethanamine or its salt, is disclosed via two different synthesis routes, comprises two novel substances.