1-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole | 97380-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole
• 英文别名: 1-Phenyl-4,5,6,7,8,9-hexahydro-1H-cyclooctatriazol；1-Phenyl-4,5-cycloocteno-1,2,3-triazol；1-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[1,2,3]triazole；1-phenyl-4,5,6,7,8,9-hexahydro-1H-cyclooctatriazole；3-phenyl-4,5,6,7,8,9-hexahydrocycloocta[d]triazole
• CAS: 97380-18-2
• 化学式: C₁₄H₁₇N₃
• 分子量: 227.309
• InChiKey: MEFOVXZQZICOBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯胺 在 zinc(II) chloride 作用下， 生成 1-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole
  参考文献：
  名称：

  Alder; Stein, Justus Liebigs Annalen der Chemie, 1933, vol. 501, p. 1,28 Anm. 1

  摘要：

  DOI：

文献信息

• Amine-Catalyzed [3+2] Huisgen Cycloaddition Strategy for the Efficient Assembly of Highly Substituted 1,2,3-Triazoles
  作者：Lei Wang、Shiyong Peng、Lee Jin Tu Danence、Yaojun Gao、Jian Wang

  DOI：10.1002/chem.201103393

  日期：2012.5.7

  has been utilized to fully promote the Huisgen [3+2] cycloaddition with a broad spectrum of carbonyl compounds and azides, thereby permitting the efficient assembly of a vast pool of highly substituted 1,2,3‐triazoles. In particular, the employment of commonly used and commercially available carbonyl compounds has resulted in the introduction of a diverse set of functional groups, such as alkyl, aryl

  烯胺催化的策略已被用来充分促进具有广泛范围的羰基化合物和叠氮化物的Huisgen [3 + 2]环加成反应，从而可以有效地组装大量高度取代的1,2,3-三唑。特别是，由于使用了常用的和可商购的羰基化合物，导致在1、4或5位引入了一组不同的官能团，例如烷基，芳基，腈，酯和酮基。 1,2,3-三唑支架的位置。可以使用此方法来访问更有用和更复杂的杂环化合物。最重要的是，反应过程表现出完全的区域选择性，仅形成一种区域异构体。
• Organocatalytic 1,3-dipolar cycloaddition reactions of ketones and azides with water as a solvent
  作者：Dwun Kit Jonathan Yeung、Tao Gao、Jiayao Huang、Shaofa Sun、Haibing Guo、Jian Wang

  DOI：10.1039/c3gc41126e

  日期：——

  We reported an enamine catalyzed strategy to fully promote a 1,3-dipolar cycloaddition to access a vast pool of substituted 1,2,3-triazoles with water as the only solvent.

  我们报告了 烯胺 完全促进1,3-偶极环加成反应以获取大量取代基的催化策略 1,2,3-三唑 和 水 作为唯一的 溶剂。
• SPECIFIC SYNTHETIC CHIMERIC XENONUCLEIC ACID GUIDE RNA; s(XNA-gRNA) FOR ENHANCING CRISPR MEDIATED GENOME EDITING EFFICIENCY
  申请人：Powell Michael J

  公开号：US20190330621A1

  公开（公告）日：2019-10-31

  The invention provides xenonucleic acids and synthetic chimeric xenonucleic acid guide RNA; s(XNA-gRNA) for enhancing crispr mediated genome editing efficiency. The invention also provides methods and compositions for inducing CRISPR/Cas-based gene editing/regulation (e.g., genome editing or gene expression) of a target nucleic acid (e.g., target DNA or target RNA) in a cell. The methods include using single guide RNAs (sgRNAs) that have been chemically modified with xeno nucleic acids which enhance gene regulation of the target nucleic acid in a primary cell for use in ex vivo therapy or in a cell in a subject for use in in vivo therapy. Additionally, provided herein are methods for preventing or treating a genetic disease in a subject by administering a sufficient amount of a sgRNA that has been chemically modified with xeno nucleic acids to correct a mutation in a target gene associated with the genetic disease.

  该发明提供了xenonucleic acids和合成嵌合xenonucleic acid guide RNA；s(XNA-gRNA)，用于增强criSPr介导的基因组编辑效率。该发明还提供了诱导CRISPR/Cas基因编辑/调控（例如基因组编辑或基因表达）靶向核酸（例如靶向DNA或靶向RNA）在细胞中的方法和组合物。这些方法包括使用已经经过化学修饰的xeno核酸的单导RNA（sgRNAs），这些核酸增强了原代细胞中靶向核酸的基因调控，用于体外治疗或用于体内治疗中的受体细胞。此外，本文提供了通过向受体注射已经经过化学修饰的xeno核酸的足够数量的sgRNA来预防或治疗受体的遗传疾病的方法，以纠正与该遗传疾病相关的靶基因的突变。
• PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE
  申请人：SYNAFFIX B.V.

  公开号：US20170002012A1

  公开（公告）日：2017-01-05

  A process is provided, comprising reacting a (hetero)aryl 1,3-dipole compound with a (hetero)cycloalkyne, wherein the (hetero)aryl 1,3-dipole compound comprises a 1,3-dipole functional group bonded to a (hetero)aryl group, and wherein the (hetero)aryl 1,3-dipole compound is a (hetero)aryl azide or a (hetero)aryl diazo compound; wherein: (i) the (hetero)aryl group of the (hetero)aryl 1,3-dipole compound comprises a substituent (ii) the (hetero)aryl group of the (hetero)aryl 1,3-dipole compound is an electron-poor (hetero)aryl group and wherein the (hetero)cycloalkyne is a (hetero)cyclooctyne or a (hetero)cyclononyne according to Formula (1). The invention also relates to the products obtainable by the process according to the invention.

  提供一种方法，包括将（杂）芳基1,3-二极化合物与（杂）环炔反应，其中（杂）芳基1,3-二极化合物包括与（杂）芳基结合的1,3-二级极功能基团，并且（杂）芳基1,3-二极化合物是（杂）芳基叠氮化物或（杂）芳基重氮化合物；其中：（i）（杂）芳基1,3-二极化合物的（杂）芳基包括一个取代基（ii）（杂）芳基1,3-二极化合物的（杂）芳基是一个电子贫富（杂）芳基，并且（杂）环炔是根据式（1）的（杂）环辛烯或（杂）环壬炔。该发明还涉及根据该发明的方法获得的产品。
• Study and application of noncatalyzed photoinduced conjugation of azides and cycloocta-1,2,3-selenadiazoles
  作者：P. Jedináková、P. Šebej、T. Slanina、P. Klán、J. Hlaváč

  DOI：10.1039/c6cc01789d

  日期：——

  The non-catalyzed cycloaddition of eight structurally different azides with cyclooctyne generated in situ by the photolysis of cycloocta-1,2,3-selenadiazole gives 1,2,3-triazole derivatives as the main products.

  八种结构不同的叠氮化合物与通过光解环辛-1,2,3-硒二唑生成的环辛炔进行非催化环加成反应，主要生成1,2,3-三唑衍生物。