(2E)-bromohexenoic acid | 125452-72-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2E)-bromohexenoic acid
• 英文别名: (E)-6-bromohex-2-enoic acid
• CAS: 125452-72-4
• 化学式: C₆H₉BrO₂
• 分子量: 193.04
• InChiKey: NHVKDSAQOMWSFX-DUXPYHPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2E)-bromohexenoic acid 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 28.5h， 生成 1'-(1'R,2'S,5'R)-menthyl-(E)-6-bromohex-2-enoate
  参考文献：
  名称：

  Palladium-Catalyzed Sequential Alkylation−Alkenylation Reactions and Their Application to the Synthesis of Fused Aromatic Rings

  摘要：

  The synthesis of fused aromatic carbocycles from aryl iodides and difunctional acceptors is outlined. This methodology is based on a palladium-catalyzed aromatic substitution followed by an intramolecular Heck sequence. Under the optimized conditions (Pd(OAc)(2) (10 mol %), tri-2-furylphosphine (20-30 mol %), norbornene (2 equiv), Cs2CO3 (2 equiv), CH3CN, reflux), bromo-enoates react with aryl iodides bearing numerous substituents (F, Cl, CF3, Me, etc.). The expanded description of our initial work as well as the use of polysubstituted aryl iodides is described.

  DOI：

  10.1021/jo0107296
• 作为产物：
  描述：

  (E)-ethyl 6-bromohex-2-enoate 生成 (2E)-bromohexenoic acid
  参考文献：
  名称：

  Palladium-Catalyzed Sequential Alkylation−Alkenylation Reactions and Their Application to the Synthesis of Fused Aromatic Rings

  摘要：

  The synthesis of fused aromatic carbocycles from aryl iodides and difunctional acceptors is outlined. This methodology is based on a palladium-catalyzed aromatic substitution followed by an intramolecular Heck sequence. Under the optimized conditions (Pd(OAc)(2) (10 mol %), tri-2-furylphosphine (20-30 mol %), norbornene (2 equiv), Cs2CO3 (2 equiv), CH3CN, reflux), bromo-enoates react with aryl iodides bearing numerous substituents (F, Cl, CF3, Me, etc.). The expanded description of our initial work as well as the use of polysubstituted aryl iodides is described.

  DOI：

  10.1021/jo0107296

文献信息

• PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof
  申请人：Mitobridge, Inc.

  公开号：US10188627B2

  公开（公告）日：2019-01-29

  Provided herein are compounds of formula (I) useful for the treatment of PPAR-delta related diseases (e.g. mitochondrial diseases, muscular diseases, vascular diseases, demyelinating diseases and metabolic diseases).

  本文提供的式 (I) 化合物可用于治疗 PPAR-delta 相关疾病（如线粒体疾病、肌肉疾病、血管疾病、脱髓鞘疾病和代谢性疾病）。
• Bicyclic sulfonamide derivatives
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0226346B1

  公开（公告）日：1991-08-14
• PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：Mitobridge, Inc.

  公开号：US20170304255A1

  公开（公告）日：2017-10-26

  Provided herein are compounds of formula (I) useful for the treatment of PPAR-delta related diseases (e.g. mitochondrial diseases, muscular diseases, vascular diseases, demyelinating diseases and metabolic diseases).
• US4163661A
  申请人：——

  公开号：US4163661A

  公开（公告）日：1979-08-07
• US4861913A
  申请人：——

  公开号：US4861913A

  公开（公告）日：1989-08-29