N-(1-(2-fluorophenyl)ethyl)acetamide | 1070875-08-9

• 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: N-(1-(2-fluorophenyl)ethyl)acetamide
• 英文别名: N-[1-(2-fluorophenyl)ethyl]acetamide
• CAS: 1070875-08-9
• 化学式: C₁₀H₁₂FNO
• mdl: MFCD20354989
• 分子量: 181.21
• InChiKey: RVAKZCZHEPIGRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(1-(2-fluorophenyl)vinyl)acetamide 在 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 C₄₀H₂₆F₁₂N₂P₂ 、 氢气 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 5.0 ℃ 、1.0 MPa 条件下， 生成 N-(1-(2-fluorophenyl)ethyl)acetamide
  参考文献：
  名称：

  Axial 4,4′,6,6′-Tetrakis-trifluoromethyl-biphenyl-2,2′-diamine (TF-BIPHAM): Resolution and Applications in Asymmetric Hydrogenation

  摘要：

  The racemic TF-BIPHAM was resolved for the first time, and the effectiveness of the resolved diamine was demonstrated by highly enantioselective hydrogenation of alpha-aryl enamides and (x-dehydroamino acid esters using readily accessible bis(aminophosphine) ligands.

  DOI：

  10.1021/ol8018677

文献信息

• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20170340604A1

  公开（公告）日：2017-11-30

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R 1 , R 2 , R c , and R d have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.