4-氯-6,8-二氟-2-甲基喹啉 | 288151-31-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-氯-6,8-二氟-2-甲基喹啉
• 中文别名: 4-氯-6,8-二氟-2-甲基-喹啉
• 英文名称: 2-methyl-6,8-difluoro-4-chloroquinoline
• 英文别名: 4-Chloro-6,8-difluoro-2-methylquinoline
• CAS: 288151-31-5
• 化学式: C₁₀H₆ClF₂N
• 分子量: 213.614
• InChiKey: AFFPXAYTKXVJTD-UHFFFAOYSA-N

物化性质

• 沸点：
  267.3±35.0 °C(Predicted)
• 密度：
  1.392±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  4-氯-6,8-二氟-2-甲基喹啉 在 sodium azide 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 生成 4-Azido-6,7-difluoro-2-methyl-quinoline
  参考文献：
  名称：

  Savini; Massarelli; Pellerano, Il Farmaco, 1993, vol. 48, # 4, p. 515 - 528

  摘要：

  DOI：

文献信息

• [EN] CINNAMIDE DERIVATIVES AS OREXIN-1 RECEPTORS ANTAGONISTS<br/>[FR] DERIVES DE CINNAMIDE UTILISES EN TANT QU'ANTAGONISTES DES RECEPTEURS DE L'OREXINE-1
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000047576A1

  公开（公告）日：2000-08-17

  A compound of formula (I): in which X and Y are CH, or one of X and Y is N and the other is CH; R1 represents (C¿1-6?)alkyl, (C2-6)alkenyl or (C1-6)alkoxy, any of which may be optionally substituted; halogen, R?8¿CO- or NR?9R10CO-; R2, R3, R4, R5 and R6¿ independently represent(C¿1-6?)alkyl, (C2-6)alkenyl, (C1-6)alkoxy or (C1-6)alkylthio, any of which may be optionally substituted; hydrogen, halogen, nitro, cyano, aryloxy, aryl(C1-6)alkyloxy, aryl(C1-6)alkyl, R?8CO-, R8SO¿2NH-, R8SO2O-, R?8CON(R11)-, NR9R10-, NR9R10¿CO-, -COOR?9, R11C(=NOR8¿), heterocyclyl or heterocyclyl (C¿1-6?)alkyl; or an adjacent pair of R?2, R3, R4, R5 and R6¿ together with the carbon atoms to which they are attached from an optionally substituted carbocyclic or heterocyclic ring; R7 is hydrogen, (C¿1-6?)alkyl (C1-6)alkenyl, (C1-6)alkoxy or (C1-6)alkylthio, any of which may be optionally substituted; halogen, hydroxy, nitro, cyano; NR?9R10-, NR9R10CO- N¿3, -OCOR?9 or R8CON(R11)-; R8¿ is (C¿1-6?)alkyl, (C2-6)alkenyl, heterocyclyl, heterocyclyl (C1-6)alkyl, aryl or aryl(C1-6)alkyl, any of which may be optionally substituted; R?9 and R10¿ independently represent hydrogen, (C¿1-6?)alkyl, (C2-6)alkenyl, heterocyclyl, heterocyclyl(C1-6)alkyl, aryl or aryl(C1-6)alkyl, any of which may be optionally substituted; R?11¿ is hydrogen or (C¿1-6?)alkyl, and when X and Y are both CH, n is 0, 1, 2, 3 or 4, and when X or Y is N, n is 0, 1, 2 or 3; or a pharmaceutically acceptable salt thereof. The use of a compound of formula (I) as defined above, or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for the treatment or prophylaxis of diseases or disorders where an antogonist of a human orexin receptor is required.