4-(trifluoromethyl) benzo[b]thiophen-3-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4-(trifluoromethyl) benzo[b]thiophen-3-amine
• 英文别名: 4-(Trifluoromethyl)benzo[b]thiophen-3-amine；4-(trifluoromethyl)-1-benzothiophen-3-amine
• 化学式: C₉H₆F₃NS
• 分子量: 217.215
• InChiKey: YTADTEAQNCWATK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1,1-三氟丙酮 、 4-(trifluoromethyl) benzo[b]thiophen-3-amine 在 甲基溴化镁 作用下， 以 四氢呋喃 为溶剂， 以34 %的产率得到2-(3-amino-4-(trifluoromethyl) benzo[b]thiophen-2-yl)-1,1,1-trifluoropropan-2-ol
  参考文献：
  名称：

  [EN] HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES DE PIÉGEAGE D'ALDÉHYDE ET LEURS UTILISATIONS

  摘要：

  The present invention provides for the treatment, prevention, and/or reduction of a risk of a disease, disorder, or condition in which aldehyde toxicity is implicated in the pathogenesis, including ocular disorders, skin disorders, conditions associated with injurious effects from blister agents, and autoimmune, inflammatory, neurological and cardiovascular diseases by the use of a disclosed compound or a pharmaceutically acceptable salt thereof.

  公开号：

  WO2023278816A1
• 作为产物：
  描述：

  2-氟-6-(三氟甲基)苯腈 在 哌嗪 、 potassium tert-butylate 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.25h， 生成 4-(trifluoromethyl) benzo[b]thiophen-3-amine
  参考文献：
  名称：

  [EN] HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES DE PIÉGEAGE D'ALDÉHYDE ET LEURS UTILISATIONS

  摘要：

  The present invention provides for the treatment, prevention, and/or reduction of a risk of a disease, disorder, or condition in which aldehyde toxicity is implicated in the pathogenesis, including ocular disorders, skin disorders, conditions associated with injurious effects from blister agents, and autoimmune, inflammatory, neurological and cardiovascular diseases by the use of a disclosed compound or a pharmaceutically acceptable salt thereof.

  公开号：

  WO2023278816A1

文献信息

• [EN] HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES DE PIÉGEAGE D'ALDÉHYDE ET LEURS UTILISATIONS
  申请人：[en]ALDEYRA THERAPEUTICS, INC.

  公开号：WO2023278816A1

  公开（公告）日：2023-01-05

  The present invention provides for the treatment, prevention, and/or reduction of a risk of a disease, disorder, or condition in which aldehyde toxicity is implicated in the pathogenesis, including ocular disorders, skin disorders, conditions associated with injurious effects from blister agents, and autoimmune, inflammatory, neurological and cardiovascular diseases by the use of a disclosed compound or a pharmaceutically acceptable salt thereof.