β-N,N-dimethylamino-α-cyanoacrylamide | 120650-89-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 英文名称: β-N,N-dimethylamino-α-cyanoacrylamide
• 英文别名: (2E)-2-cyano-3-(dimethylamino)prop-2-enamide；(E)-2-cyano-3-(dimethylamino)prop-2-enamide
• CAS: 120650-89-7
• 化学式: C₆H₉N₃O
• 分子量: 139.157
• InChiKey: XNZBBRSOQRITIK-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-N,N-dimethylamino-α-cyanoacrylamide 、 苄胺 以55%的产率得到
  参考文献：
  名称：

  GRANIK, V. G.;ZHIDKOVA, A. M.;ZHIVOTOVSKAYA, I. S.;SOLOVEVA, N. P.;POLIEV+, ZH. ORGAN. XIMII, 1981, 17, N 11, 2421-2425

  摘要：

  DOI：

文献信息

• [EN] PROCESS FOR PREPARING 2-METHYL-4-AMINO-5-CYANOPYRIMIDINE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 2-MÉTHYL-4-AMINO-5-CYANOPYRIMIDINE
  申请人：UNIV FUDAN

  公开号：WO2011060624A1

  公开（公告）日：2011-05-26

  A process for synthesizing 2-methyl-4-amino-5-cyanopyrimidine is provided. It is characterized by reacting malononitrile with an ionic salt compound (III) in a certain solvent under the effect of an alkali, and condensing the product thereof without separation directly with ethanamidine hydrochloride to form a ring in the presence of an alkali, so as to prepare 2-methyl-4-amino-5-cyanopyrimidine (I).

  提供了一种合成2-甲基-4-氨基-5-氰基嘧啶的过程。其特征在于，在碱的作用下，将丙二腈与离子盐化合物（III）在特定溶剂中反应，并在碱的存在下直接与盐酸乙酰胺基甲烷缩合，形成环而不分离产物，从而制备2-甲基-4-氨基-5-氰基嘧啶（I）。
• ERSHOV, L. V.;KISELEV, S. S.;GRANIK, V. G., XIMIYA GETEROTSIKL. SOEDIN., 1984, N 4, 538-542
  作者：ERSHOV, L. V.、KISELEV, S. S.、GRANIK, V. G.

  DOI：——

  日期：——
• SOLOVEVA, N. P.;KURBATOVA, T. YU.;PERESLENI, E. M.;KISELEV, S. S.;GRIZIK,+, ZH. ORGAN. XIMII, 24,(1988) N 7, 1485-1490
  作者：SOLOVEVA, N. P.、KURBATOVA, T. YU.、PERESLENI, E. M.、KISELEV, S. S.、GRIZIK,+

  DOI：——

  日期：——
• KURBATOVA, T. YU.;KISELEV, S. S.;RUBTSOV, N. M.;GRANIK, V. G.;SHEJNKER, Y+, ZH. ORGAN. XIMII, 24,(1988) N 7, S. 1491-1494
  作者：KURBATOVA, T. YU.、KISELEV, S. S.、RUBTSOV, N. M.、GRANIK, V. G.、SHEJNKER, Y+

  DOI：——

  日期：——
• [EN] ANTIVIRAL PYRIMIDINES<br/>[FR] PYRIMIDINES ANTIVIRALES
  申请人：PROGENICS PHARM INC

  公开号：WO2010118367A2

  公开（公告）日：2010-10-14

  Disclosed herein are novel compounds comprising substituted pyrimidines, pyrazolopyrimtdines, and imidazolopyrimidines, the syntheses thereof, and compositions thereof, including pharmaceutical compositions, comprising the novel pyrimidines, pyrazolopyrimtdines, imidazolpyrimidines and related compounds. Such compounds function to inhibit entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.