3-(4-isobutoxy-3-nitrophenyl)-5-(2-methyl-4-pyridyl)-N-pivaloyloxymethyl-1,2,4-triazole | 577778-60-0

• 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: 3-(4-isobutoxy-3-nitrophenyl)-5-(2-methyl-4-pyridyl)-N-pivaloyloxymethyl-1,2,4-triazole
• 英文别名: [3-[4-(2-methylpropoxy)-3-nitrophenyl]-5-(2-methylpyridin-4-yl)-1,2,4-triazol-1-yl]methyl 2,2-dimethylpropanoate
• CAS: 577778-60-0
• 化学式: C₂₄H₂₉N₅O₅
• 分子量: 467.525
• InChiKey: RLPWDBOJAHPKJY-UHFFFAOYSA-N

物化性质

• 沸点：
  644.5±65.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-isobutoxy-3-nitrobenzonitrile 在 potassium carbonate 作用下， 以 甲醇 、 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 38.0h， 生成 3-(4-isobutoxy-3-nitrophenyl)-5-(2-methyl-4-pyridyl)-N-pivaloyloxymethyl-1,2,4-triazole
  参考文献：
  名称：

  NOVEL 1,2,4-TRIAZOLE COMPOUND

  摘要：

  公开号：

  EP1471065B1

文献信息

• Novel 1 2 4-triazole compound
  申请人：Nakamura Hiroshi

  公开号：US20050004175A1

  公开（公告）日：2005-01-06

  A novel 1,2,4-triazole compound which is useful as a therapeutic agent for hyperuricemia and gout due to hyperuricemia is provided. A compound is represented by the following general formula (1): wherein R 2 represents an unsubstituted or substituted pyridyl group, R 1 represents a similar pyridyl group, a pyridine-N-oxide group corresponding to these pyridyl groups, or a phenyl group, and R 3 represents hydrogen or a lower alkyl group substituted with pivaloyloxy group and R 3 bonds to a nitrogen atom in the ring. A process for production of a compound by reacting a nitrile and a hydrazide, and a therapeutic agent, particularly a xanthine oxidase inhibitor are also provided.

  提供了一种新型的1,2,4-三唑化合物，可用作治疗高尿酸血症和由高尿酸血症引起的痛风的治疗剂。该化合物由以下通式（1）表示：其中R2表示未取代或取代的吡啶基团，R1表示类似的吡啶基团，对应于这些吡啶基团的吡啶-N-氧化物基团或苯基团，而R3表示氢或取代有丁二酰氧基的低碳基团，且R3与环中的氮原子键合。还提供了通过反应腈和肼制备化合物的方法，以及治疗剂，特别是黄嘌呤氧化酶抑制剂。
• 1 2 4-triazole compound
  申请人：Fuji Yakuhin Co., Ltd.

  公开号：US07074816B2

  公开（公告）日：2006-07-11

  A novel 1,2,4-triazole compound which is useful as a therapeutic agent for hyperuricemia and gout due to hyperuricemia is provided. A compound is represented by the following general formula (1): wherein R2 represents an unsubstituted or substituted pyridyl group, R1 represents a similar pyridyl group, a pyridine-N-oxide group corresponding to these pyridyl groups, or a phenyl group, and R3 represents hydrogen or a lower alkyl group substituted with pivaloyloxy group and R3 bonds to a nitrogen atom in the ring. A process for production of a compound by reacting a nitrile and a hydrazide, and a therapeutic agent, particularly a xanthine oxidase inhibitor are also provided.

  提供了一种新型的1,2,4-三唑化合物，其可用作治疗高尿酸血症和由高尿酸血症引起的痛风的治疗剂。该化合物由以下通式（1）表示：其中R2代表未取代或取代的吡啶基团，R1代表类似的吡啶基团，与这些吡啶基团相应的吡啶-N-氧化物基团或苯基团，而R3代表氢或被戊二酰氧基取代的低碳基团，且R3与环中的氮原子结合。还提供了通过反应腈和肼制备化合物的方法以及治疗剂，特别是黄嘌呤氧化酶抑制剂。
• US7074816B2
  申请人：——

  公开号：US7074816B2

  公开（公告）日：2006-07-11
• NOVEL 1,2,4-TRIAZOLE COMPOUND
  申请人：Fuji Yakuhin Co., Ltd.

  公开号：EP1471065B1

  公开（公告）日：2008-02-27