tert-butyl N-(tert-butoxycarbonyliminomethylene)carbamate

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl N-(tert-butoxycarbonyliminomethylene)carbamate
• 英文别名: bis-Boc-carbodiimide；N,N'-di-boc-carbodiimide
• 化学式: C₁₁H₁₈N₂O₄
• 分子量: 242.275
• InChiKey: GTYVIPUSNPRDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-(tert-butoxycarbonyliminomethylene)carbamate 、 3-(4-甲氧基苯基)-丙胺 在 4-二甲氨基吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 tert-butyl N-[N'-[3-(4-methoxyphenyl)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
  参考文献：
  名称：

  用于合成 N,N'-Di-Boc 保护的胍的温和且廉价的程序

  摘要：

  描述了一种将多种胺转化为 N,N' -di-Boc 保护的胍的新型有效合成程序。该方法包括使用氰尿酰氯 (TCT) 作为二-Boc-硫脲的活化剂。使用廉价的 TCT 代替经典的 HgCl 2 消除了重金属废物对环境的危害，而不会显着降低产量或反应性。该协议为目前使用的胺类鸟苷酸化提供了另一种途径。

  DOI：

  10.1055/s-0029-1218365
• 作为产物：
  描述：

  N,N′-二-Boc-硫脲 在 N-甲基吗啉 、 三聚氯氰 作用下， 以 四氢呋喃 为溶剂， 反应 12.2h， 生成 tert-butyl N-(tert-butoxycarbonyliminomethylene)carbamate
  参考文献：
  名称：

  用于合成 N,N'-Di-Boc 保护的胍的温和且廉价的程序

  摘要：

  描述了一种将多种胺转化为 N,N' -di-Boc 保护的胍的新型有效合成程序。该方法包括使用氰尿酰氯 (TCT) 作为二-Boc-硫脲的活化剂。使用廉价的 TCT 代替经典的 HgCl 2 消除了重金属废物对环境的危害，而不会显着降低产量或反应性。该协议为目前使用的胺类鸟苷酸化提供了另一种途径。

  DOI：

  10.1055/s-0029-1218365
• 作为试剂：
  描述：

  4-碘吡唑 、 1-金刚烷甲醇 在 tert-butyl N-(tert-butoxycarbonyliminomethylene)carbamate 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以73%的产率得到1-(1-adamantylmethyl)-4-iodo-pyrazole
  参考文献：
  名称：

  WO2021018857A5

  摘要：

  公开号：

  WO2021018857A5

文献信息

• 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.
• METHODS AND COMPOSITIONS OF ACCELERATING REACTIONS FOR POLYPEPTIDE ANALYSIS AND RELATED USES
  申请人：Encodia, Inc.

  公开号：US20220127754A1

  公开（公告）日：2022-04-28

  The present disclosure relates to methods of accelerating reactions involving macromolecules, e.g., peptides, polypeptides, and proteins for sequencing and/or analysis. In some embodiments, the methods include the application of radiation, e.g., electromagnetic radiation or microwave energy. In some embodiments, the methods and uses are for modifying a polypeptide or a plurality of polypeptides (e.g., peptides and proteins) for sequencing and/or analysis that employ barcoding and nucleic acid encoding of molecular recognition events, and/or detectable labels.
• [EN] POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF<br/>[FR] LIEURS DE TERMINAISONS POLYPEPTIDIQUES ET LEURS UTILISATIONS
  申请人：[en]ENCODIA, INC.

  公开号：WO2022072560A1

  公开（公告）日：2022-04-07

  The present disclosure relates to a binder that specifically binds to an N-terminally modified polypeptide through interaction with a modified N-terminal amino acid. Also provided herein is a method and related kits for treating a polypeptide using or comprising the binder and/or modified cleavase. In some embodiments, also provided herein is a method and related kits for transferring information using a plurality of enzymes, including for performing a ligation, extension, and cleavage reaction with nucleic acid molecules associated with the polypeptide for analysis.
• A Mild and Inexpensive Procedure for the Synthesis of N,N′-Di-Boc-Protected Guanidines
  作者：Andrea Porcheddu、Lidia De Luca、Giampaolo Giacomelli

  DOI：10.1055/s-0029-1218365

  日期：2009.12

  A novel and efficient synthetic procedure for converting a diverse set of amines to N,N′ -di-Boc-protected guanidines is described. The methodology comprises the use of cyanuric chloride (TCT) as activating reagent for di-Boc-thiourea. The employ of inexpensive TCT instead of classical HgCl 2 eliminates the environmental hazard of heavy-metal waste without appreciable loss of yield or reactivity. This

  描述了一种将多种胺转化为 N,N' -di-Boc 保护的胍的新型有效合成程序。该方法包括使用氰尿酰氯 (TCT) 作为二-Boc-硫脲的活化剂。使用廉价的 TCT 代替经典的 HgCl 2 消除了重金属废物对环境的危害，而不会显着降低产量或反应性。该协议为目前使用的胺类鸟苷酸化提供了另一种途径。