2-cyano-N-(3-cyano-4-methylphenyl)acetamide | 1016641-78-3

• 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: 2-cyano-N-(3-cyano-4-methylphenyl)acetamide
• CAS: 1016641-78-3
• 化学式: C₁₁H₉N₃O
• 分子量: 199.212
• InChiKey: CTMIBXYCDFGBBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基-5-氨基苯腈 、 氰乙酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以88%的产率得到2-cyano-N-(3-cyano-4-methylphenyl)acetamide
  参考文献：
  名称：

  WO2008/37784

  摘要：

  公开号：

文献信息

• QUINOLINONE DERIVATIVES
  申请人：Kesteleyn Bart Rudolf Romanie

  公开号：US20100087649A1

  公开（公告）日：2010-04-08

  HIV inhibitory compounds of formula (I) including the stereoisomeric forms thereof, the pharmaceutically acceptable salts, and pharmaceutically acceptable solvates thereof; wherein R 1 is cyano; R 2 is H, C 1-6 alkyl, trifluoromethyl, amino, mono- or di-C 1-6 alkylamino, C 1-6 alkylamino wherein the C 1-6 alkyl group can be substituted; X 1 is CH or N; R 3 is phenyl or pyridyl, each unsubstituted or substituted; R 4 is H, C 1-6 alkyl, (C 1-6 alkylcarbonylamino)C 1-6 alkyl-, Ar, potionally substituted thienyl, furanyl, pyridyl, pyrimidyl, pyrazinyl, pyrrolyl, pyrazolyl, imidazolyl, triazolyl, oxazolyl, thiazolyl, halo, trifluoromethyl, hydroxy, C 1-6 alkyloxy, —OPO(OH) 2 , amino, aminocarbonyl, cyano, —Y 1 —R 6 , —Y 1 -Alk-R 6 , or —Y 1 -Alk-Y 2 —R 7 ; R 3 is H, halo, hydroxy or C 1-6 alkyloxy; or R 4 and R 5 form —O—CH 2 —O—; Y 1 is O or NR 8 ; Y 2 is O or NR 9 ; Alk is bivalent C 1-6 alkyl; R 6 is pyrrolidinyl, piperidinyl, morpholinyl, piperazinyl, 4-C 1-6 alkylpiperazinyl, 4-(C 1-6 alkylcarbonyl)piperazinyl, pyridyl, or imidazolyl; R 7 is H, C 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkylcarbonyl; R 8 and R 9 are H or C 1-6 alkyl; Ar is optionally substituted phenyl; pharmaceutical compositions comprising the above compounds (I) as active ingredient.
• [EN] QUINOLINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINOLINONE
  申请人：TIBOTEC PHARM LTD

  公开号：WO2008037784A1

  公开（公告）日：2008-04-03

  [EN] HIV inhibitory compounds of formula (I) including the stereoisomeric forms thereof, the pharmaceutically acceptable salts, and pharmaceutically acceptable solvates thereof; wherein R¹ is cyano; R² is H, C_1-6alkyl, trifluoromethyl, amino, mono- or di-C_1-6alkylamino, C_1-6alkylamino wherein the C_1-6alkyl group can be substituted; X¹ is CH or N; R³ is phenyl or pyridyl, each unsubstituted or substituted; R⁴ is H, C_1-6alkyl, (C_1-6alkylcarbonyla mino)C_1-6alkyl-, Ar, potionally substituted thienyl, furanyl, pyridyl, pyrimidyl, pyrazinyl, pyrrolyl, pyrazolyl, imidazolyl, triazo lyl, oxazolyl, thiazolyl, halo, trifluoromethyl, hydroxy, C_1-6alkyloxy, -OPO(OH)₂, amino, aminocarbonyl, cyano, -Y¹-R⁶, -Y¹-Alk-R⁶, or -Y¹-Alk-Y²-R⁷; R⁵ is H, halo, hydroxy or C_1-6alkyloxy; or R⁴ and R⁵ form -O-CH₂-O-; Y¹ is O or NR⁸; Y² is O or NR⁹; Alk is bivalent C_1-6alkyl; R⁶ is pyrrolidinyl, piperidinyl, morpho linyl, piperazinyl, 4-C_{1 -6}alkylpiperazinyl, 4-(C_1-6alkylcarbonyl)piperazinyl, pyridyl, or imidazolyl; R⁷ is H, C_1-6alkyl, hydroxyC_{1 -6}alkyl, C₁
  [FR] La présente invention concerne des composés inhibiteurs du VIH, de formule (I), y compris les formes stéréoisomères, les sels pharmaceutiquement acceptables et les solvates pharmaceutiquement acceptables de ceux-ci. Dans cette formule, R¹ représente cyano; R² représente H, alkyle C_1-6, trifluorométhyle, amino, mono- ou di-alkylamino C_1-6, alkylamino C_1-6, le groupe alkyle C_1-6 pouvant être substitué; X¹ représente CH ou N; R³ représente phényle ou pyridyle, chacun substitué ou non; R⁴ représente H, alkyle C_1-6, (alkylcarbonylamino C_1-6)C_1-6alkyle, Ar, thiényle, furanyle, pyridyle, pyrimidyle, pyrazinyle, pyrrolyle, pyrazolyle, imidazolyle, triazolyle, oxazolyle, thiazolyle, halo, trifluorométhyle, hydroxy, alkyloxy C_1-6, -OPO(OH)₂, amino, aminocarbonyle, cyano, -Y¹-R⁶, -Y¹-Alk-R⁶ ou -Y¹-Alk-Y²-R⁷
• WO2008/37784
  申请人：——

  公开号：——

  公开（公告）日：——