4,6-二甲氧基吡唑[3,4-d]嘧啶 | 98277-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 4,6-二甲氧基吡唑[3,4-d]嘧啶
• 中文别名: 4,6-二甲氧基-吡唑并[3,4-d]嘧啶
• 英文名称: 4,6-dimethoxy-1H-pyrazolo[3,4-d]pyrimidine
• 英文别名: 4,6-dimethoxy-1(2)H-pyrazolo[3,4-d]pyrimidine；4,6-Dimethoxy-1(2)H-pyrazolo[3,4-d]pyrimidin
• CAS: 98277-30-6
• 化学式: C₇H₈N₄O₂
• mdl: MFCD11053607
• 分子量: 180.166
• InChiKey: UTCPXICNROSCSK-UHFFFAOYSA-N

物化性质

• 熔点：
  222-223 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
• 沸点：
  286.5±50.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)
• 溶解度：
  甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  72.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P501,P270,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P312+P330
• 危险性描述：
  H302,H315,H319

反应信息

• 作为反应物：
  描述：

  4,6-二甲氧基吡唑[3,4-d]嘧啶 在 盐酸 作用下， 反应 1.0h， 以81%的产率得到羟基嘌呤
  参考文献：
  名称：

  Chemo- and Regioselective Functionalization of Uracil Derivatives. Applications to the Synthesis of Oxypurinol and Emivirine

  摘要：

  A novel route for the synthesis of 4,5-difunctionalized uracils using a chemo-and regioselective bromine/magnesium exchange reaction on 5-bromo-4-halogeno-2,6-dimethoxypyrimidines has been developed. Applications to the synthesis of pharmaceuticals such as oxypurinol and emivirine are reported.

  DOI：

  10.1021/ol061295+
• 作为产物：
  描述：

  5-溴-4-氯-2,6-二甲氧基嘧啶 在 lithium chloro-isopropyl-magnesium chloride 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 4.75h， 生成 4,6-二甲氧基吡唑[3,4-d]嘧啶
  参考文献：
  名称：

  Chemo- and Regioselective Functionalization of Uracil Derivatives. Applications to the Synthesis of Oxypurinol and Emivirine

  摘要：

  A novel route for the synthesis of 4,5-difunctionalized uracils using a chemo-and regioselective bromine/magnesium exchange reaction on 5-bromo-4-halogeno-2,6-dimethoxypyrimidines has been developed. Applications to the synthesis of pharmaceuticals such as oxypurinol and emivirine are reported.

  DOI：

  10.1021/ol061295+

文献信息

• [EN] DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS DIHYDROPYRAZOLOPYRIMIDINONE UTILISÉS EN TANT QU'EN TANT QU'INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2016192083A1

  公开（公告）日：2016-12-08

  The present invention is directed to dihydropyrazolopyrimidinonecompounds of formula (I) which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

  本发明涉及式(I)的二氢吡唑并嘧啶酮化合物，该化合物作为治疗与磷酸二酯酶2 (PDE2)相关的中枢神经系统障碍的治疗剂是有用的。本发明还涉及使用这些化合物来治疗神经和精神障碍，如精神分裂症、精神病、帕金森病、帕金森病痴呆（PDD）或亨廷顿病，以及与纹状体功能减退或基底神经节功能障碍相关的疾病。
• Robins, Journal of the American Chemical Society, 1957, vol. 79, p. 6407,6412
  作者：Robins

  DOI：——

  日期：——
• Chemo- and Regioselective Functionalization of Uracil Derivatives. Applications to the Synthesis of Oxypurinol and Emivirine
  作者：Nadège Boudet、Paul Knochel

  DOI：10.1021/ol061295+

  日期：2006.8.1

  A novel route for the synthesis of 4,5-difunctionalized uracils using a chemo-and regioselective bromine/magnesium exchange reaction on 5-bromo-4-halogeno-2,6-dimethoxypyrimidines has been developed. Applications to the synthesis of pharmaceuticals such as oxypurinol and emivirine are reported.