N,N'-di-tert-butoxycarbonyl-1H-benzotriazole-1-carboxamidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: N,N'-di-tert-butoxycarbonyl-1H-benzotriazole-1-carboxamidine
• 英文别名: tert-Butyl N-[(1H-1,2,3-benzotriazol-1-yl({[(tert-butoxy)carbonyl]imino})methyl]carbamate；tert-butyl (NZ)-N-[benzotriazol-1-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
• 化学式: C₁₇H₂₃N₅O₄
• 分子量: 361.401
• InChiKey: JEEPGQDKVCACHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-di-tert-butoxycarbonyl-1H-benzotriazole-1-carboxamidine 在 potassium cyanide 、 甲酸铵 、 三乙胺 、 锌 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 37.0h， 生成
  参考文献：
  名称：

  Divergent ionic liquid supported synthesis of isolable guanidine linked quinoxalinone and benzodiamine

  摘要：

  Ionic liquid supported synthesis of guanidine linked piperazine, diazepane, and aminomethylpiperidine to difluoroquinoxalinones and difluoro benzodiamine was achieved by two regioisomeric products. They were isolated from one pot reduction and intramolecular cyclization to afford quinoxalinone ring system with traceless cleavage of ionic liquid support. Besides, the ionic-supported other isomer was further cleaved in methanol. All the reactions were carried out on an ionic liquid support under various conditions to deliver biologically relevant scaffolds with high purity and excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.012
• 作为产物：
  描述：

  T406石油添加剂 、 N,N′-二-Boc-硫脲 在 三乙胺 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以67%的产率得到N,N'-di-tert-butoxycarbonyl-1H-benzotriazole-1-carboxamidine
  参考文献：
  名称：

  N,N‘-Di-tert-butoxycarbonyl-1H- benzotriazole-1-carboxamidine Derivatives Are Highly Reactive Guanidinylating Reagents

  摘要：

  [GRAPHICS]By enhancing the leaving group character of benzotriazole via electron-withdrawing substituents such as the 5-chloro or 6-nitro derivatives with the related N,N'-di-tert butoxycarbonyl-1H-benzotriazole-1-carboxamidines, highly efficient reagents are obtained for conversion of primary and secondary amines in solution and in solid phase to diprotected guanidines.

  DOI：

  10.1021/ol010191q

文献信息

• Novel cyclization of bis-Boc-guanidines: expeditive traceless synthesis of 1,3,5-oxadiazinones under microwave conditions
  作者：Gorakh S. Yellol、Tsai-Wen Chung、Chung-Ming Sun

  DOI：10.1039/c0cc03519j

  日期：——

  A novel intramolecular cyclization was discovered during the reaction of soluble polymer supported bis-Boc-guanidines with amines under microwave irradiation, leading to an oxadiazinone skeleton. The cyclized polymer conjugates have been further utilized to generate substituted 1,3,5-oxadiazinones by a traceless synthesis.

  在微波辐照下，可溶性聚合物支持的双Boc胍与胺反应过程中发现了新颖的分子内环化反应，从而形成了一个二嗪酮骨架。通过一种无痕迹合成法，这些环化的聚合物衍生物进一步被用于产生取代的1,3,5-二嗪酮。
• AMIDES OF CREATNE, METHOD OF THEIR PREPARATION, AND REMEDY POSSESSING A NEUROPROTECTIVE ACTIVITY
  申请人：Burov Sergej Vladimirovich

  公开号：US20110269986A1

  公开（公告）日：2011-11-03

  The invention relates to pharmaceutical chemistry notably to new biologically active substances (BAS) and their properties. In particular, the invention relates to Creatine derivatives having a general formula: NH═C(NH 2 )—N(CH 3 )—CH 2 —CO—NH—R*X, wherein R—amino acid residue of aliphatic, aromatic or heteroaromatic L-amino acid or its derivative representing a salts of amino acid, amino acid esters, amino acid amides or peptides; X—lower organic or mineral acid or water. New substances are prepared by interaction of aforesaid amides of sarcosine having a general formula of HN(CH 3 )—CH 2 —CO—NH—R*X, wherein: R is amino acid residue or substituted amino acid residue; X is low-molecular-weight organic acid or mineral acid or water, with a guanidinylating agents with the in organic solvents at temperature not exceeding 50° C. New chemical compounds can be used as a remedy possessing a neuroprotective activity.

  该发明涉及制药化学，特别是新的生物活性物质（BAS）及其性质。具体而言，该发明涉及具有一般式的肌酸衍生物：NH═C(NH 2 )—N(CH 3 )—CH 2 —CO—NH—R*X，其中R为脂肪族、芳香族或杂环芳基L-氨基酸或其衍生物的氨基酸残基，代表氨基酸盐、氨基酸酯、氨基酸酰胺或肽；X为低级有机酸或矿物酸或水。新物质通过上述具有一般式的肌氨酸酰胺的相互作用制备而成，其中：R为氨基酸残基或取代氨基酸残基；X为低分子量有机酸或矿物酸或水，与有机溶剂中的胍基化剂在不超过50°C的温度下反应。新的化合物可用作具有神经保护活性的药物。
• Microwave-assisted synthesis of highly functionalized guanidines on soluble polymer support
  作者：Chih-Hau Chen、Chieh-Li Tung、Chung-Ming Sun

  DOI：10.1016/j.tetlet.2012.05.074

  日期：2012.8

  support. In this manner, highly functionalized guanidines were obtained after cleavage from the support. The reaction is tolerant of a wide range of functional groups on both the alkyl halide and guanidine components. In addition, the reaction is sufficiently simple workup by precipitation in each step to yield the substituted guanidines in high purity. In conjunction with microwave irradiation and soluble

  N，N'的一种有效方法在多步微波辐射下，已经开发了含有哌嗪和高哌嗪支架的-di（Boc）保护的胍。随后还研究了氨基甲酸酯保护的胍与各种烷基卤的烷基化。该方案通过在可溶性聚合物载体上用氢化钠使胍的酸性N-氨基甲酸酯氢去质子化而进行。以这种方式，从支持物上裂解后获得了高度官能化的胍。该反应可耐受烷基卤和胍组分上的多种官能团。另外，通过在每个步骤中进行沉淀，该反应是足够简单的后处理，以产生高纯度的取代的胍。结合微波辐射和可溶性聚合物载体，
• METHODS AND COMPOSITIONS FOR POLYPEPTIDE ANALYSIS
  申请人：Encodia, Inc.

  公开号：US20200348307A1

  公开（公告）日：2020-11-05

  The present disclosure relates to methods and kits for analysis of polypeptides. In some embodiments, the present methods and kits employ barcoding and nucleic acid encoding of molecular recognition events, and/or detectable labels.
• KITS FOR ANALYSIS USING NUCLEIC ACID ENCODING AND/OR LABEL
  申请人：Encodia, Inc.

  公开号：US20200348308A1

  公开（公告）日：2020-11-05

  Kits and methods of using the kits for analyzing macromolecules, including peptides, polypeptides, and proteins, employing nucleic acid encoding are disclosed. The sample analysis kits employ nucleic acid encoding and/or nucleic acid recording of a molecular interaction and/or reaction, such as recognition events (e.g., between an antigen and an antibody, between a modified terminal amino acid residue, or between a small molecule or peptide therapeutic and a target, etc.). Additional barcoding reagents, such as those for cycle-specific barcoding (e.g., “clocking”), compartment barcoding, combinatorial barcoding, spatial barcoding, or any combination thereof, may be included in the kits. The sample may comprise macromolecules, including peptides, polypeptides, and proteins, and the recording may generate molecular interaction and/or reaction information, and/or polypeptide sequence information. The kits may be used in high-throughput, multiplexed, and/or automated analysis, and are suitable for analysis of a proteome or subset thereof.