benzyl N-(2-aminobenzyl)carbamate | 64392-59-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-(2-aminobenzyl)carbamate
• 英文别名: benzyl 2-aminobenzylcarbamate；benzyl N-[(2-aminophenyl)methyl]carbamate；o-Amino-N-carbobenzyloxybenzylamin；2-amino-N-(benzyloxycarbonyl)benzylamine；2-aminobenzyl-Cbz-amine
• CAS: 64392-59-2
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: CTTPGSKYCFFQHW-UHFFFAOYSA-N

物化性质

• 熔点：
  52-53 °C(Solv: hexane (110-54-3))
• 沸点：
  473.2±38.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl N-(2-aminobenzyl)carbamate 在 palladium 10% on activated carbon 、 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 1-(4-((2-(aminomethyl)phenyl)amino)piperidin-1-yl)-2-(4-(trifluoromethyl)phenyl)ethenone
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME

  摘要：

  由式XI表示的杂环化合物，其药用盐、溶剂合物，或其药用盐的溶剂合物，以及其用途和含有该化合物的组合物。该化合物在结构上是新颖的，并具有良好的STAT5抑制活性。

  公开号：

  EP3960736A1
• 作为产物：
  描述：

  2-氨基苯甲腈 在 platinum(IV) oxide 氢气 、 potassium carbonate 作用下， 以 氯仿 、 乙酸酐 为溶剂， 生成 benzyl N-(2-aminobenzyl)carbamate
  参考文献：
  名称：

  Studies on models for tetrahydrofolic acid. 8. Hydrolysis and methoxyaminolysis of amidines

  摘要：

  DOI：

  10.1021/ja00459a032

文献信息

• Piperazines as P2X7 antagonists
  申请人：Betschmann Patrick

  公开号：US20080076924A1

  公开（公告）日：2008-03-27

  Novel compounds of Formula (I) or pharmaceutically acceptable salts thereof, metabolites thereof, isomers thereof, enantiomers thereof or prodrugs thereof of Formula (I) wherein the substituents are as defined herein, which are useful as therapeutic agents.

  化合物I式的新型化合物或其药学上可接受的盐、代谢物、异构体、对映体或前药，其中取代基如本文所定义，这些化合物可用作治疗剂。
• [EN] HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE, SON APPLICATION ET COMPOSITION LE CONTENANT<br/>[ZH] 一种含杂环的化合物、其应用及含其的组合物
  申请人：GENEROS BIOPHARMA LTD

  公开号：WO2020216378A1

  公开（公告）日：2020-10-29

  一种如式XI所示的含杂环的化合物、其药学上可接受的盐、其溶剂合物或其药学上可接受的盐的溶剂合物，及其应用及含其的组合物。该类化合物的结构新颖，具有较佳的STAT5抑制活性。
• Concise preparation of novel tricyclic chemotypes: fused hydantoin–benzodiazepines
  作者：Steven Gunawan、Gary S. Nichol、Shashi Chappeta、Justin Dietrich、Christopher Hulme

  DOI：10.1016/j.tetlet.2010.06.131

  日期：2010.9

  The following article describes a concise synthesis of a collection of 4,5-dihydro-1H-benzo[e][1,4]diazepines fused to a hydantoin ring. Molecular complexity and biological relevance are high and structures are generated in a mere three steps, employing the Ugi reaction to assemble diversity reagents. The protocol represents a novel UDC (Ugi-deprotect-cyclize) strategy employed in the Ugi-5-component CO(2)-mediated condensation, followed by further cyclization under basic conditions, to afford the fused hydantoin. Mechanistic caveats, dependent on the aldehydes of choice will be revealed and a facile oxidation of the final products to imidazolidenetriones is briefly discussed. (C) 2010 Elsevier Ltd. All rights reserved.
• A versatile PIFA-mediated approach to structurally diverse pyrrolo(benzo)diazepines from linear alkynylamides
  作者：Leticia M. Pardo、Imanol Tellitu、Esther Domínguez

  DOI：10.1016/j.tet.2010.05.080

  日期：2010.7

  The addition of the hypervalent iodine reagent PIFA [phenyliodine(III) bis(trifluoroacetate)] to a series of properly substituted N-(3-aminopropyl)alkynylamides results in the efficient formation of a functionalized 5-aroyl-2-pyrrolidinone skeleton. By proper manipulations of the N(1)-substituents, through consecutive deprotection and/or reductive amination steps, a second cyclization process occurs yielding the target heterocycles. As it will be disclosed, the overall process is open to structural modifications that gives rise to a series of pyrrolo(benzo)diazepine derivatives. (C) 2010 Elsevier Ltd. All rights reserved.
• Study of biscarbamates derived from 2-aminobenzylamines as models for alcohol prodrugs
  作者：Sébastien Papot、Christian Bachmann、Damien Combaud、Jean-Pierre Gesson

  DOI：10.1016/s0040-4020(99)00139-8

  日期：1999.4

  Unsubstituted N-arylcarbamate of title compound does not cyclize to the corresponding cyclic urea: with ROH liberation, under mild conditions (40 degrees C). Substitution of the benzylic position by two methyl groups promotes slow cyclisation while N-methylation of the N-aryl carbamate has a more important effect. Relative cyclisation rates are in agreement with barrier heights obtained from ab initio calculations. The calculations also suggest that the highest cyclisation rate of the latter is a consequence of the steric hindrance caused by the N-methyl substituent. (C) 1999 Elsevier Science Ltd. All rights reserved.