氨甲酸,[2-[4-(苯基甲氧基)苯基]乙基]-,1,1-二甲基乙基酯 | 182921-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 氨甲酸,[2-[4-(苯基甲氧基)苯基]乙基]-,1,1-二甲基乙基酯
• 英文名称: N-t-butoxycarbonyl-O-benzyltyramine
• 英文别名: N-(tert-butoxycarbonyl)-2-[4-(benzyloxy)phenyl]ethylamine；n-[para-(Boc-aminoethyl)phenoxymethyl]benzene；tert-butyl N-[2-(4-benzyloxyphenyl)ethyl]carbamate；tert-butyl (4-(benzyloxy)phenethyl)carbamate；(2-(4-benzyloxyphenyl)-ethyl)-carbamic acid tert-butyl ester；N-t-Butoxycarbonyl-2-[(4-benzyloxy)-phenyl]-ethylamine；N-t-Butoxycarbonyl (4-benzyloxy)-2-phenylethylamine；α-[para-(Boc-aminoethyl)phenoxy]toluene；Tert-butyl 4-(benzyloxy)phenethylcarbamate；tert-butyl N-[2-(4-phenylmethoxyphenyl)ethyl]carbamate
• CAS: 182921-01-3
• 化学式: C₂₀H₂₅NO₃
• 分子量: 327.423
• InChiKey: DWZRLMLJTRDOJE-UHFFFAOYSA-N

物化性质

• 沸点：
  477.8±33.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氨甲酸,[2-[4-(苯基甲氧基)苯基]乙基]-,1,1-二甲基乙基酯 在 五甲基苯 、 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 以87%的产率得到N-Boc-酪胺
  参考文献：
  名称：

  Mild Debenzylation of Aryl Benzyl Ether with BCl₃ in the Presence of Pentamethylbenzene as a Non-Lewis-Basic Cation Scavenger

  摘要：

  Scope and limitations of the debenzylation conditions for aryl benzyl ether, which was developed during our synthetic studies on yatakemycin, were investigated. The chemoselective debenzylation proceeds at low temperature with a combination of BCl(3) and pentamethylbenzene as a cation scavenger in the presence of various functional groups.

  DOI：

  10.1055/s-2008-1077980
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 7.5h， 生成 氨甲酸,[2-[4-(苯基甲氧基)苯基]乙基]-,1,1-二甲基乙基酯
  参考文献：
  名称：

  Diverse alkaloid-like structures from a common building block

  摘要：

  A wealth of unique enantiopure polycyclic alkaloid-like scaffolds can be prepared on a multigram scale in only a few steps from a common, commercially available intermediate. The attached nitromethyl group can then be used to construct highly diverse functionalized libraries suitable for screening against biological targets of interest. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.038

文献信息

• Labelled elastase inhibitors
  申请人：Amersham International PLC

  公开号：US06375926B1

  公开（公告）日：2002-04-23

  A human leucocyte elastase (HLE) inhibitor labelled with a detector moiety where the inhibitor is synthetic and has a molecular weight of less than 2000, is useful for the diagnostic imaging of sites of inflammation of infection in vivo, for labelling leucocytes in vitro, or for radiotherapy of rthritis. The HLE inhibitor is preferably a &bgr;-lactam or an azetidinone.

  一种带有检测基团的人类白细胞弹性蛋白酶（HLE）抑制剂，其中抑制剂是合成的，分子量小于2000，可用于体内炎症或感染部位的诊断成像，体外标记白细胞，或用于治疗关节炎的放射治疗。HLE抑制剂最好是β-内酰胺或氮杂环丙酮。
• Guanidinium compounds with sub-micromolar activities against Mycobacterium tuberculosis . Synthesis, characterization and biological evaluations
  作者：Hugues Massimba-Dibama、Maxime Mourer、Patricia Constant、Mamadou Daffé、Jean-Bernard Regnouf-de-Vains

  DOI：10.1016/j.bmc.2015.07.053

  日期：2015.9

  incorporating 1, 2, 3, 4 and 6 guanidine arms organized around a benzene core were synthesized and assayed as anti-mycobacterial agents against Mycobacterium tuberculosis. They display MIC values comprised between 25 and 12.5 μM (close to ethambutol EMB) for the mono- and the hexa-substituted derivatives, and 0.8 μM (close to isoniazid and streptomycin) for the tri-substituted derivative. The three bi-

  合成了七个结合在苯核心周围的，带有1、2、3、4和6个胍基臂的带电荷物质，并将其检测为针对结核分枝杆菌的抗分枝杆菌药物。它们显示的MIC值，对于单取代和六取代的衍生物，介于25至12.5μM（接近乙胺丁醇EMB），对于三取代的衍生物，其MIC介于0.8μM（接近异烟肼和链霉素）。三个被双取代和四取代的类似物显示的MIC值为ca。6.5–3.0μM。还针对耐异烟肼的MYC5165菌株对后者进行了评估，从而产生了令人关注的微摩尔或亚微摩尔MIC，约为。活性比异烟肼高4–125倍。这些初步结果对于开发新型抗结核病药物具有吸引力。
• SYNTHESIS OF POLYCYCLIC ALKALOIDS
  申请人：RIGEL PHARMACEUTICALS, INC.

  公开号：US20130237524A1

  公开（公告）日：2013-09-12

  Disclosed embodiments concern polycyclic alkaloid compounds and methods for their use and synthesis. Particular embodiments concern polycyclic alkaloids having a fused, six-membered ring, while other embodiments concern polycyclic alkaloids having a fused, five-membered ring. Methods for making the polycyclic alkaloids are disclosed, as well as methods for their use as prophylactics or treatments for certain diseases. Also disclosed are pharmaceutical compositions comprising the polycyclic alkaloids and their use.

  揭示的实施例涉及多环生物碱化合物及其使用和合成方法。特定实施例涉及具有融合的六元环的多环生物碱，而其他实施例涉及具有融合的五元环的多环生物碱。公开了制备多环生物碱的方法，以及用作预防或治疗某些疾病的方法。还公开了包含多环生物碱及其使用的药物组合物。
• Replacement of benzylic hydroxy group by vinyl or hydroxymethyl moiety at the 3-benzazepine scaffold retaining GluN2B affinity
  作者：Susann Rath、Dirk Schepmann、Bernhard Wünsch

  DOI：10.1016/j.bmc.2017.07.059

  日期：2017.10

  represents the key step in the synthesis of 1-vinyl substituted tetrahydro-3-benzazepine 10. Ozonolysis of 10 and subsequent reduction led to the hydroxymethyl derivative 14. The GluN2B affinities of the methyl ethers 2a, 3a and 4a and phenols 2b and 3b are very similar, respectively. It can be concluded that the ifenprodil binding site of GluN2B subunit containing NMDA receptors well tolerates a vinyl or

  由于NMDA受体的过度活化与神经退行性疾病有关，因此对亚单位选择性NMDA受体拮抗剂的设计和开发非常感兴趣。为了避免形成醌类中间体作为降解的起点，将铅化合物2的苄基OH基团替换为富含电子的乙烯基或同源的羟甲基部分。9a的Bi（OTf）3催化的分子内Friedel - Crafts烷基化反应是1-乙烯基取代的四氢-3-苯并ze庚因10合成中的关键步骤。臭氧分解10和随后的还原反应生成羟甲基衍生物14。甲基醚2a，3a和4a与酚2b和3b的GluN2B亲和力非常相似。可以得出结论，包含NMDA受体的GluN2B亚基的艾芬地尔结合位点很好地耐受乙烯基或羟甲基部分而不是苄基OH基团。然而，选择性已经改善，因为σ 1的新配体的亲和力比其GluN2B亲和力更高。
• PTERIDINES AND THEIR USE AS AGROCHEMICALS
  申请人：Brewster William K.

  公开号：US20110054173A1

  公开（公告）日：2011-03-03

  The present disclosure relates to 1- or 2-(4-(aryloxy)-phenyl)ethylamino-, oxy- or sulfanyl)pteridines and 1- or 2-(4-(heteroaryloxy)-phenyl)ethylamino-, oxy- or sulfanyl)pteridines and their use as agrochemicals and animal health products.

  本公开涉及1-或2-(4-(芳氧基)苯基)乙基氨基、氧基或硫基)喹啉和1-或2-(4-(杂芳氧基)苯基)乙基氨基、氧基或硫基)喹啉及其作为农药和动物健康产品的用途。