Methyl 1-tert-butyl-1h-1,2,3-triazole-4-carboxylate | 98013-34-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Methyl 1-tert-butyl-1h-1,2,3-triazole-4-carboxylate
• 英文别名: methyl 1-tert-butyltriazole-4-carboxylate
• CAS: 98013-34-4
• 化学式: C₈H₁₃N₃O₂
• 分子量: 183.21
• InChiKey: MGXRYBLXJHDKHR-UHFFFAOYSA-N

物化性质

• 熔点：
  106 °C
• 沸点：
  271.8±32.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-dimethyl tert-butylamino-formamidine 、 重氮乙酸甲酯 以 乙腈 为溶剂， 反应 24.0h， 以55%的产率得到Methyl 1-tert-butyl-1h-1,2,3-triazole-4-carboxylate
  参考文献：
  名称：

  Untersuchungen an Diazo-Verbindungen und Aziden; LVI¹. Amino- und Iminomethylierung von Diazomethyl-Verbindungen

  摘要：

  DOI：

  10.1055/s-1985-31146

文献信息

• <i>Tris</i> ‐isocyanide copper(I) complex enabling copper azide‐alkyne cycloaddition in neat conditions
  作者：Valentina Ferraro、Roberto Sole、Marco Bortoluzzi、Valentina Beghetto、Jesús Castro

  DOI：10.1002/aoc.6401

  日期：2021.11

  determined by single-crystal X-ray diffraction. The complex is highly stable, active and selective toward the copper-catalyzed azide-alkyne cycloaddition, working in neat conditions and in the absence of bases at room temperature. Substrate scope was assessed by testing several different alkynes and azides. In most cases the corresponding 1,4-disubstituted-1,2,3-triazoles were isolated in high yields.

  在配位球中与 2,6-二甲基苯基异氰化物的三配位均配 Cu(I) 配合物很容易合成和分离为四氟硼酸盐。该化合物的结构由单晶X射线衍射确定。该配合物对铜催化的叠氮化物-炔烃环加成反应具有高度稳定性、活性和选择性，可在纯净条件下和室温下无碱条件下工作。通过测试几种不同的炔烃和叠氮化物来评估底物范围。在大多数情况下，相应的 1,4-二取代-1,2,3-三唑以高产率分离。
• Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides
  申请人：Akebia Therapeutics, Inc.

  公开号：US10246416B2

  公开（公告）日：2019-04-02

  Disclosed are processes for preparing [(3-hydroxypyridine-2-carbonyl)amino]-alkanoic acids, derivatives, inter alia, 5-aryl substituted and 5-heteroaryl substituted [(3-hydroxypyridine-2-carbonyl]amino}acetic acids. Further disclosed are methods for making prodrugs of [(3-hydroxypyridine-2-carbonyl)-amino]acetic acids, for example, [(3-hydroxypyridine-2-carbonyl]amino}acetic acid esters and [3-hydroxypyridine-2-carbonyl]amino}acetic acid amides. The disclosed compounds are useful as prolyl hydroxylase inhibitors or for treating conditions wherein prolyl hydroxylase inhibition is desired.

  公开了制备[(3-羟基吡啶-2-羰基)氨基]-烷酸的工艺，其衍生物包括 5-芳基取代的和 5-杂芳基取代的[(3-羟基吡啶-2-羰基)氨基}乙酸。进一步公开了制造[(3-羟基吡啶-2-羰基)氨基]乙酸原药的方法，例如[(3-羟基吡啶-2-羰基]氨基}乙酸酯和[3-羟基吡啶-2-羰基]氨基}乙酸酰胺。所公开的化合物可作为脯氨酰羟化酶抑制剂或用于治疗需要抑制脯氨酰羟化酶的病症。
• REGITZ, M.;SCHODER, W., SYNTHESIS, BRD, 1985, N 2, 178-180
  作者：REGITZ, M.、SCHODER, W.

  DOI：——

  日期：——
• PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES
  申请人：Akebia Therapeutics, Inc.

  公开号：US20170362178A1

  公开（公告）日：2017-12-21

  Disclosed are processes for preparing [(3-hydroxypyridine-2-carbonyl)amino]-alkanoic acids, derivatives, inter alia, 5-aryl substituted and 5-heteroaryl substituted [(3-hydroxypyridine-2-carbonyl]amino}acetic acids. Further disclosed are methods for making prodrugs of [(3-hydroxypyridine-2-carbonyl)-amino]acetic acids, for example, (3-hydroxypyridine-2-carbonyl]amino}acetic acid esters and [3-hydroxypyridine-2-carbonyl]amino}acetic acid amides. The disclosed compounds are useful as prolyl hydroxylase inhibitors or for treating conditions wherein prolyl hydroxylase inhibition is desired.
• Untersuchungen an Diazo-Verbindungen und Aziden; LVI¹. Amino- und Iminomethylierung von Diazomethyl-Verbindungen
  作者：M. Regitz、W. Schoder

  DOI：10.1055/s-1985-31146

  日期：——