1-叔-丁氧基羰基-1,2,4-三唑 | 41864-24-8

• 物质功能分类: 分析化学 - 分析试剂 - 衍生化试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-叔-丁氧基羰基-1,2,4-三唑
• 中文别名: 1-Boc-1,2,4-三唑；1-叔丁氧羰基-1,2,4-三唑；1-叔丁氧基羰基-1H-1,2,4-三唑；1-叔丁氧基羰基-1,2,4-三唑
• 英文名称: [1,2,4]triazole-1-carboxylic acid tert-butyl ester
• 英文别名: 1-(tert-butoxycarbonyl)1H-1,2,4-triazole；1-tert-butyl 1H-1,2,4-triazole-1-carboxylate；1-tert-Butoxycarbonyl-1,2,4-triazole；tert-butyl 1,2,4-triazole-1-carboxylate
• CAS: 41864-24-8
• 化学式: C₇H₁₁N₃O₂
• mdl: MFCD00042665
• 分子量: 169.183
• InChiKey: XWUFRDJEUOAMNW-UHFFFAOYSA-N

物化性质

• 熔点：
  43-47 °C
• 沸点：
  75 °C0.35 mm Hg(lit.)
• 稳定性/保质期：

  常规情况下不会分解，也没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  29339900,2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 二碳酸二叔丁酯 在 1-methylimidazolium tetrafluoroborate 作用下， 反应 1.0h， 以78%的产率得到1-叔-丁氧基羰基-1,2,4-三唑
  参考文献：
  名称：

  An efficient and chemoselective Brønsted acidic ionic liquid-catalyzed N-Boc protection of amines

  摘要：

  The first report of a Bronsted acidic ionic liquid, 1-methylimidazolium tetrafluoroborate [(HMIm)BF(4)], catalyzed efficient and chemoselective N-Boc protection of various amines using (Boc)(2)O is presented. Optically pure amino alcohols and amino acid esters were converted efficiently to their corresponding optically pure N-Boc derivatives. The reported method is mild, solvent-free and has the advantages of both homogeneous and heterogeneous catalysis with high product yields, selectivity and ease of product separation. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.126

文献信息

• 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1840126A1

  公开（公告）日：2007-10-03

  A compound of the following formula (I): wherein A is a group of the following formula (I-A): wherein X is an oxygen atom or a sulfur atom, R4 is a hydrogen atom, a C1-6 alkyl group, or other, R5 is a hydrogen atom or other; or a heteroaryl group or other optionally substituted with a halogen, a C1-6 alkyl, a C1-6 alkoxy, or other; R1 and R2 are the same or different and are a hydrogen atom, a C1-6 alkyl group or other; R3 is a hydrogen atom, a halogen atom, a C1-6 alkoxy group, or other; Ra and Rb are the same or different and are a hydrogen atom or a C1-6 alkyl group; and n is an integer of 0-5; or a pharmaceutically acceptable acid addition salt thereof, which can selectively act on mitochondrial benzodiazepine receptor and is useful as a medicament for treating/preventing anxiety disorder, depression, epilepsy, dementia, and so on.

  以下是公式（I）的化合物： 其中A是以下公式（I-A）的一个基团： 其中X是氧原子或硫原子，R4是氢原子，C1-6烷基或其他，R5是氢原子或其他；或者是杂环基团或其他，可选择地取代有卤素、C1-6烷基、C1-6烷氧基或其他；R1和R2相同或不同，是氢原子、C1-6烷基或其他；R3是氢原子、卤素原子、C1-6烷氧基或其他；Ra和Rb相同或不同，是氢原子或C1-6烷基；n是0-5的整数；或其药学上可接受的酸盐，可选择性地作用于线粒体苯二氮卓受体，用作治疗/预防焦虑症、抑郁症、癫痫、痴呆等疾病的药物。
• Processes for the Preparation of Tezacaftor and Intermediates Thereof
  申请人：Apotex Inc.

  公开号：US20200223832A1

  公开（公告）日：2020-07-16

  The present invention provides processes for the preparation of Tezacaftor, as well as intermediates useful in the preparation thereof. In particular, processes are provided for the preparation of a compound of Formula (3), and its conversion to Tezacaftor (1).

  本发明提供了制备Tezacaftor的方法，以及在制备过程中有用的中间体。特别地，提供了制备化合物式（3）的方法，以及将其转化为Tezacaftor（1）的方法。
• [EN] SYNTHESIS OF ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS<br/>[FR] SYNTHÈSE D'ANALOGUES D'AMINOGLYCOSIDE ANTIBACTÉRIENS
  申请人：ACHAOGEN INC

  公开号：WO2019079613A1

  公开（公告）日：2019-04-25

  The present disclosure relates to novel methods for preparing antibacterial sisomicin-type aminoglycoside compounds, as well as to related intermediates, and crystal forms thereof, useful in such methods.

  本公开涉及用于制备抗菌的Sisomicin型氨基糖苷化合物的新方法，以及相关的中间体和晶体形式，在这些方法中有用。
• Preparation of cefalosporins intermediates and conversion of said intermediates into active compound precursors
  申请人：——

  公开号：US20040242863A1

  公开（公告）日：2004-12-02

  There is described the preparation of the new 7&bgr;-[(2-aminothiazol-4-yl)glyoxylamido-3-hydroxymethyl-2-cephem-4-carboxylic acid derivatives, in which the amino group is free or protected by a removable group, and the subsequent conversion of the compounds thus obtained into active cephalosporin precursors either by esterification of the hydroxy group or replacement of the hydroxy group by a halogen atom and, in the latter case, by subsequent replacement of the halogen atom of said 7&bgr;-[(2-aminothiazol-4-yl)glyoxylamido-3-halomethyl-3-cephem-4-carboxylic acid derivatives by the residue of a nucleophilic compound to obtain corresponding, immediate precursors of 7&bgr;-[&agr;-(2-aminothiazol-4-yl-&agr;-methoxyimino]acetamido-3-(substituted)methyl-3-cephem-4-carboxylic acid derivatives.

  本文描述了制备新的7β-[(2-氨基噻唑-4-基)甘氨酰基]-3-羟甲基-2-头孢菌素-4-羧酸衍生物的方法，其中氨基可以是自由的或者由可去保护基保护的，随后将得到的化合物通过羟基酯化或者将羟基替换为卤原子，再在后一种情况下，通过将7β-[(2-氨基噻唑-4-基)甘氨酰基]-3-卤甲基-3-头孢菌素-4-羧酸衍生物的卤原子替换为亲核化合物的残基，从而获得相应的7β-[α-(2-氨基噻唑-4-基-α-甲氧基亚氨基)乙酰基]-3-(取代基)甲基-3-头孢菌素-4-羧酸衍生物的直接前体。
• Triazole derivatives useful as Axl inhibitors
  申请人：Singh Rajinder

  公开号：US20070213375A1

  公开（公告）日：2007-09-13

  Triazole derivatives and pharmaceutical compositions containing the derivatives are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the derivatives in treating diseases or conditions associated with Axl catalytic activity are also disclosed.

  本发明揭示了三唑衍生物及含有该衍生物的制药组合物，其在抑制受体蛋白酪氨酸激酶Axl的活性方面具有有用性。本发明还揭示了使用该衍生物治疗与Axl催化活性相关的疾病或病况的方法。