4,6-二甲氧基-2-嘧啶甲腈 | 139539-63-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,6-二甲氧基-2-嘧啶甲腈
• 中文别名: 2-氰基-4,6-二甲氧基嘧啶
• 英文名称: 4,6-dimethoxypyrimidine-2-carbonitrile
• 英文别名: 2-cyano-4,6-dimethoxy-pyrimidine
• CAS: 139539-63-2
• 化学式: C₇H₇N₃O₂
• mdl: MFCD04972587
• 分子量: 165.151
• InChiKey: JKBOPKHTARFXNE-UHFFFAOYSA-N

物化性质

• 沸点：
  339.9±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  68
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,6-二甲氧基-2-嘧啶甲腈 在 盐酸羟胺 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 以6.81 g的产率得到N-hydroxy-4,6-dimethoxypyrimidine-2-carboximidamide
  参考文献：
  名称：

  [EN] HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER
  [FR] COMPOSÉS HÉTÉROAROMATIQUES POUR LE TRAITEMENT DU CANCER

  摘要：

  The present invention encompasses compounds of the formula (I), wherein R1, R2.a, R2.b, R3.a, R3.b, R4.a, R4.b, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, Rx, n and Q have the meanings given in the claims and specification, their use as inhibitors of mutant Ras family proteins, pharmaceutical compositions and preparations containing such compounds and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.

  公开号：

  WO2023117681A1

文献信息

• HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160237059A1

  公开（公告）日：2016-08-18

  The present application relates to novel heterocyclically substituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

  本申请涉及新颖的杂环取代的6-(三氟甲基)嘧啶-4(3H)-酮衍生物，其制备方法，它们单独或组合用于治疗和/或预防疾病，以及它们用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管、肾脏、炎症和纤维化疾病。
• Substituted phthalides and heterocyclic phthalides
  申请人：Sandoz Ltd.

  公开号：US05506192A1

  公开（公告）日：1996-04-09

  Substituted phthalides and heterocyclic phthalides and derivatives thereof which are useful as herbicides are described.

  描述了作为除草剂有用的代用邻苯二甲酸酐和杂环邻苯二甲酸酐及其衍生物。
• Process for preparing substituted pyrimidines
  申请人：Sandoz Ltd.

  公开号：US05698694A1

  公开（公告）日：1997-12-16

  A process for preparation of substituted phthalides, heterocyclic phthalides and derivatives thereof by reacting an aromatic carboxylic acid mono- or di-anion with a reactive derivative of a pyrimidine carboxylic acid.

  一种通过将芳香族羧酸单或双阴离子与嘧啶羧酸的反应衍生物反应，制备取代邻苯二酐、杂环邻苯二酐及其衍生物的方法。
• Synthesis of <scp>Planar‐Chiral</scp> [2.2]<scp>Paracyclophane‐Based Oxazole‐Pyrimidine</scp> Ligands and Application in <scp>Nickel‐Catalyzed</scp> 1,<scp>2‐Reduction</scp> of α,<scp>β‐Unsaturated</scp> Ketones
  作者：Juan Wang、Qing‐Xian Xie、Xiang Li、Chang‐Bin Yu、Yong‐Gui Zhou

  DOI：10.1002/cjoc.202300575

  日期：2024.4

  structure and large steric hindrance performed successfully in nickel-catalyzed asymmetric 1,2-reduction of α,β-unsaturated ketones, affording the chiral allylic alcohols with up to 99% yield and 99% ee. Meanwhile, this reduction reaction could be conducted on gram-scale without loss of activity and enantioselectivity, and the chiral ligand could be conveniently recovered with high yield.

  平面手性配体作为一类独特且重要的配体在不对称催化中得到了广泛的应用。其中，手性[2.2]对环芳烷已成为一种特殊类型的平面手性框架，并由于其结构稳定性而被用作重要的工具箱。在此，我们设计并合成了[2.2]对环芳烷衍生的恶唑嘧啶配体（缩写为PYMCOX）。这些性质稳定、结构刚性和位阻大的N , N-配体成功地进行了镍催化的α,β-不饱和酮的不对称1,2-还原反应，得到了手性烯丙醇，收率高达99%，产率高达99% ee。同时，该还原反应可以在克级水平上进行，而不损失活性和对映选择性，并且可以方便地高收率地回收手性配体。
• NON-AQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING SAME
  申请人：LG Chem, Ltd.

  公开号：EP3279998A1

  公开（公告）日：2018-02-07

  Disclosed are: a non-aqueous electrolyte for a lithium secondary battery containing 1-20 parts by weight of a cyano group-containing pyrimidine-based compound on the basis of 100 parts by weight of an organic solvent; and a lithium secondary battery comprising the same.

  本发明公开了：一种用于锂二次电池的非水电解液，其中含有 1-20 份（按重量计）含氰基的嘧啶基化合物（以 100 份（重量计）有机溶剂为基础）；以及一种包含该电解液的锂二次电池。