间叔丁基氯甲酸苯酯 | 49561-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 间叔丁基氯甲酸苯酯
• 英文名称: chloroformic acid 3-(1,1-dimethylethyl)phenyl ester
• 英文别名: 3-(1,1-dimethylethyl)phenyl chloroformate；m-tert-Butylphenyl chloroformate；(3-tert-butylphenyl) carbonochloridate
• CAS: 49561-88-8
• 化学式: C₁₁H₁₃ClO₂
• 分子量: 212.676
• InChiKey: BYUPCPGESMKIBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  间叔丁基氯甲酸苯酯 在 sodium azide 作用下， 以 丙酮 为溶剂， 以1.447 g的产率得到3-(tert-butyl)phenyl azidoformate
  参考文献：
  名称：

  可见光诱导的分子内C（sp 2）–H胺化和叠氮基甲酰胺通过三重态硝基途径的叠氮化

  摘要：

  邻烯丙基苯基叠氮基甲酸酯的催化分子内C–H氨基化和叠氮化反应已在可见光照射下完成，为合成有用的苯并恶唑酮和[5.1.0]双环氮丙啶提供了温和，清洁和有效的方法。机理研究表明，三重态氮烯起反应性中间体的作用。与烷基烯烃叠氮化≫缺电子烯烃叠氮化≈C（sp 2）–H胺化≫ C（sp 3）–H胺化反应的化学选择性，在理解可见光方面可能具有指导意义诱导的三重态氮转化反应。

  DOI：

  10.1021/acs.orglett.8b01980
• 作为产物：
  描述：

  光气 、 3-叔丁基苯酚 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 间叔丁基氯甲酸苯酯
  参考文献：
  名称：

  Tetrahydro-β-carboline derivatives targeting fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channels

  摘要：

  A series of twenty-five derivatives of tetrahydro-beta-carbolines 1-3 was synthesized and assayed on FAAH and TRPV1 and TRPA1 channels. Four carbamates, that is, 5a,c,e, and 9b inhibited FAAH with significant potency and interacted also effectively with TRPV1 and TRPA1 nociceptive receptors, while ureas 7b,d,f, and 8a,b were endowed with specific submicromolar TRPV1 modulating activities. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.137

文献信息

• Versatile Cp*Co(III)(LX) Catalyst System for Selective Intramolecular C–H Amidation Reactions
  作者：Jia Lee、Jeonghyo Lee、Hoimin Jung、Dongwook Kim、Juhyeon Park、Sukbok Chang

  DOI：10.1021/jacs.0c04448

  日期：2020.7.15

  Herein, we report the development of a tailored cobalt catalyst system of Cp*Co(III)(LX) toward intramolecular C-H nitrene insertion of azidoformates to afford cyclic carbamates. The cobalt complexes were easy to prepare and bench-stable, thus offering a convenient reaction protocol. The catalytic reactivity was significantly improved by the electronic tuning of the bidentate LX ligands, and the observed

  在此，我们报告了针对叠氮甲酸酯的分子内 CH 氮烯插入以提供环状氨基甲酸酯的 Cp*Co(III)(LX) 定制钴催化剂系统的开发。钴配合物易于制备且在实验室中稳定，因此提供了方便的反应方案。双齿LX配体的电子调谐显着提高了催化反应性，并且通过构象分析和过渡态的DFT计算使观察到的区域选择性合理化。新开发的钴催化剂体系的优异性能可广泛应用于温和条件下的 C(sp2)-H 和 C(sp3)-H 氨基甲酸化反应。
• Peroxides, their preparation process and use
  申请人：——

  公开号：US20030073861A1

  公开（公告）日：2003-04-17

  The invention relates to a preparation process for making peroxy esters and peroxy carbonates, peroxy ester peroxy carbonates, mixed diperoxides, mixed diperoxy esters, and mixed diperoxy carbonates, and to specific monoperoxy esters, monoperoxy carbonates, mixed peroxides, mixed diperoxy esters, mixed diperoxy carbonates, peroxy ester peroxy carbonates, and mixtures thereof. The process involves the reaction of a type-3 ketone peroxide with a reactive carbonyl compound and optional subsequent reaction with an alkyl vinyl ether, acetal, halogen formate, or carboxylic acid anhydride.

  本发明涉及一种制备过氧化酯和过氧化碳酸盐、过氧化酯过氧化碳酸盐、混合二过氧化物、混合二过氧化酯和混合二过氧化碳酸盐的制备工艺，以及特定的单过氧化酯、单过氧化碳酸盐、混合过氧化物、混合二过氧化酯、混合二过氧化碳酸盐、过氧化酯过氧化碳酸盐及其混合物。该工艺涉及 3 型过氧化酮与活性羰基化合物的反应，以及随后与烷基乙烯基醚、缩醛、甲酸卤素酯或羧酸酐的任选反应。
• Ketone peroxide derivatives, their preparation and use
  申请人：——

  公开号：US20040260111A1

  公开（公告）日：2004-12-23

  The invention relates to peroxides derivable from 1 The invention further relates to the process to make these peroxides as well as to their use in polymerization, curing, and modification reactions.

  本发明涉及可由以下物质衍生的过氧化物 1 本发明还涉及制造这些过氧化物的工艺以及它们在聚合、固化和改性反应中的用途。
• New <i>N</i>-Arachidonoylserotonin Analogues with Potential “Dual” Mechanism of Action against Pain
  作者：Giorgio Ortar、Maria Grazia Cascio、Luciano De Petrocellis、Enrico Morera、Francesca Rossi、Aniello Schiano-Moriello、Marianna Nalli、Vito de Novellis、David F. Woodward、Sabatino Maione、Vincenzo Di Marzo

  DOI：10.1021/jm070678q

  日期：2007.12.27

  N-Arachidonoylserotonin (AA-5-HT, 1a) is an inhibitor of fatty acid amide hydrolase (FAAH) that acts also as an antagonist of transient receptor potential vanilloid-type 1 (TRPV1) channels and is analgesic in rodents. We modified the chemical structure of 1a with the aim of developing "hybrid" FAAH/TRPV1 blockers more potent than the parent compound or obtaining analogues with single activity at either of the two targets to study the mechanism of the analgesic action of 1a. Thirty-eight AA-5-HT analogues, containing a serotonin "head" bound to a variety of lipophilic moieties via amide, urea, or carbamate functionalities, were synthesized. Unlike 1a, most of the new compounds possessed activity at only one of the two considered targets. The amides 1b and 1c of alpha- and gamma-linolenic acid, however, showed "hybrid" activity similar to 1a. The carbarnate 3f (OMDM 106), although unable to antagonize TRPV1 receptors, was the most potent FAAH inhibitor in this study (IC50 = 0.5 mu M). Compounds 3f and 1m (OMDM129), which exhibited activity at only FAAH or TRPV1, respectively, were 10-fold less potent than 1a at preventing formal in-induced hyperalgesia in mice.
• Synthesis and biological evaluation of piperazinyl carbamates and ureas as fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channel dual ligands
  作者：Enrico Morera、Luciano De Petrocellis、Ludovica Morera、Aniello Schiano Moriello、Alessia Ligresti、Marianna Nalli、David F. Woodward、Vincenzo Di Marzo、Giorgio Ortar

  DOI：10.1016/j.bmcl.2009.09.033

  日期：2009.12

  The evaluation of a series of piperazinyl carbamates and ureas, designed on the basis of previously reported TRPV1 antagonists and FAAH inhibitors, led to the identification of some 'dual-action' compounds targeting both FAAH and TRPV1 or TRPA1 receptors. (C) 2009 Elsevier Ltd. All rights reserved.