(4-乙炔基苯基)甲胺盐酸盐 | 935528-07-7

• 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: (4-乙炔基苯基)甲胺盐酸盐
• 英文名称: 4-ethynylbenzylamine hydrochloride
• 英文别名: (4-Ethynylphenyl)methanamine hydrochloride；(4-ethynylphenyl)methanamine;hydrochloride
• CAS: 935528-07-7
• 化学式: C₉H₉N*ClH
• 分子量: 167.638
• InChiKey: ONVUDJVSWPEZND-UHFFFAOYSA-N

物化性质

• 熔点：
  222-224 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (4-乙炔基苯基)甲胺盐酸盐 在 cobalt nanoparticles encapsulated within nitrogen doped graphitic shells prepared via pyrolysis of poly([1,3-bis(4-vinylbenzyl)imidazolium]CoCl₄) at 800 ^oC 作用下， 以 甲苯 为溶剂， 反应 30.0h， 以94%的产率得到C₁₈H₁₃N
  参考文献：
  名称：

  核-壳钴纳米粒子将伯胺选择性无受体脱氢成亚胺。

  摘要：

  核-壳纳米催化剂因其多功能性和稳定性而具有吸引力。在这里，我们描述了通过阳离子聚离子液体（PIL）与氯化钴（II）阴离子的热解制备的包裹在石墨壳中的钴纳米颗粒。所得材料具有核-壳结构，该结构在伯胺向其相应的亚胺的自脱氢和杂脱氢中显示出优异的活性和选择性。此外，该催化剂在由具有各种可还原官能团（C = C，C≡C和C≡N）和氨基酸衍生物的底物合成仲亚胺中表现出优异的活性。

  DOI：

  10.1002/anie.201915526
• 作为产物：
  描述：

  tert-butyl 4-((trimethylsilyl)ethynyl)benzylcarbamate 在 盐酸 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 97.0h， 生成 (4-乙炔基苯基)甲胺盐酸盐
  参考文献：
  名称：

  Novel N-Substituted Indol-3-ylglyoxylamides Probing the L_Di and L₁/L₂ Lipophilic Regions of the Benzodiazepine Receptor Site in Search for Subtype-Selective Ligands

  摘要：

  Novel N-substituted indol-3-ylglyoxylamides (10-37) were synthesized and evaluated as ligands of the benzodiazepine receptor (BzR). In an effort to achieve affinity-based selectivity among BzR subtypes, these compounds were designed to probe the L-Di and L-2 lipophilic regions. Taking the alpha(1)-selective benzylindolylglyoxylamides Ia and Ib as leads, we varied the substituent on the benzylamide phenyl ring (compounds 10-23) or replaced the benzyl moiety with alkyl groups (compounds 24-37). The above structural changes gave no shift of selectivity from the alpha(1) toward the alpha(2) or alpha(5) subtypes, thus confirming that a ligand which occupies the L-Di region probably exhibits alpha(1) selectivity, despite its interactions with other lipophilic areas in the receptor binding cleft. Compound 11 (N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide), which selectively binds with a full agonist efficacy at the alpha(1) receptor subtype and displays sedative action, can be regarded as an interesting potential zolpidem-like sedative-hypnotic agent.

  DOI：

  10.1021/jm0607707

文献信息

• Boron-Catalyzed Silylative Reduction of Nitriles in Accessing Primary Amines and Imines
  作者：Narasimhulu Gandhamsetty、Jinseong Jeong、Juhyeon Park、Sehoon Park、Sukbok Chang

  DOI：10.1021/acs.joc.5b00941

  日期：2015.7.17

  Silylative reduction of nitriles was studied under transition metal-free conditions by using B(C6F5)3 as a catalyst with hydrosilanes as a reductant. Alkyl and (hetero)aryl nitriles were efficiently converted to primary amines or imines under mild conditions. The choice of silanes was found to determine the selectivity: while a full reduction of nitriles was highly facile, the use of sterically bulky

  在无过渡金属的条件下，通过使用B（C 6 F 5）3作为催化剂，以氢硅烷作为还原剂，研究了腈的甲硅烷基化还原反应。在温和的条件下，烷基和（杂）芳基腈被有效地转化为伯胺或亚胺。发现硅烷的选择决定了选择性：虽然腈的完全还原非常容易，但是使用空间大体积的硅烷允许部分还原，从而生成N-甲硅烷基亚胺。
• Catalytic Staudinger Reduction at Room Temperature
  作者：Danny C. Lenstra、Joris J. Wolf、Jasmin Mecinović

  DOI：10.1021/acs.joc.9b00831

  日期：2019.5.17

  catalytic Staudinger reduction at room temperature that enables the preparation of a structurally diverse set of amines from azides in excellent yields. The reaction is based on the use of catalytic amounts of triphenylphosphine as a phosphine source and diphenyldisiloxane as a reducing agent. Our catalytic Staudinger reduction exhibits a high chemoselectivity, as exemplified by reduction of azides

  我们报道了在室温下有效的Staudinger催化还原反应，该反应能够以优异的收率从叠氮化物制备结构多样的胺。该反应基于催化量的三苯基膦作为膦源和二苯基二硅氧烷作为还原剂的使用。我们的Staudinger催化还原具有很高的化学选择性，例如叠氮化物相对于其他常见官能团（包括腈，烯烃，炔烃，酯和酮）的还原。
• DUAL ACTION INHIBITORS AGAINST HISTONE DEACETYLASES AND 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE
  申请人：National Taiwan University

  公开号：US20140206645A1

  公开（公告）日：2014-07-24

  Disclosed herein are novel compounds of formula (I), and uses thereof. The compounds of Formula (I) are inhibitors of histone deacetylases (HDACs) and 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase (HMGR). Also provided are methods of using the compounds of Formula (I) for inhibiting the activity of HDACs and HMGR, treating diseases associated with HDACs or HMGR (e.g., cancer, hypercholesterolemia, an acute or chronic inflammatory disease, autoimmune disease, allergic disease, pathogen infection, neurodegenerative disease, or a disease associated with oxidative stress,

  本文披露了式（I）的新化合物及其用途。式（I）的化合物是组蛋白去乙酰化酶（HDACs）和3-羟基-3-甲基戊二酰辅酶A（HMG-CoA）还原酶（HMGR）的抑制剂。还提供了使用式（I）的化合物抑制HDACs和HMGR活性、治疗与HDACs或HMGR相关的疾病（如癌症、高胆固醇血症、急性或慢性炎症性疾病、自身免疫疾病、过敏性疾病、病原体感染、神经退行性疾病或与氧化应激相关的疾病）的方法。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018220149A1

  公开（公告）日：2018-12-06

  The present invention provides compounds which are selective allosteric inhibitors of TMLR, TMLRCS, LR, LRCS containing EGFR mutants, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances.

  本发明提供了一种选择性的TMLR、TMLRCS、LR、LRCS含有EGFR突变体的抑制剂化合物，以及它们的制备、含有它们的药物组合物和它们作为治疗活性物质的用途。
• Biodegradable dendritic structure, methods and uses thereof
  申请人：INEB—INSTITUTO NACIONAL DE ENGENHARIA BIOMEDICA

  公开号：US10858484B2

  公开（公告）日：2020-12-08

  The present disclosure relates to biodegradable and biocompatible dendritic repeating unit/scaffold (bRU), to a method of synthesis of biodegradable and biocompatible dendritic repeating unit/scaffold (bRU) and to the biomedical applications of biodegradable and biocompatible dendritic repeating unit/scaffold (bRU). This bRU is useful as scaffold to synthesize fully biodegradable dendrimers and/or “mix” or “hybrid” biodegradable dendrimers, presenting a biodegradable shell and a hydrolytically stable/non-degradable core of already existing dendritic systems, in particular it relates to a Biodegradable dendritic structure of formula (I).

  本公开涉及可生物降解和生物相容性树枝状重复单元/支架（bRU）、可生物降解和生物相容性树枝状重复单元/支架（bRU）的合成方法以及可生物降解和生物相容性树枝状重复单元/支架（bRU）的生物医学应用。 这种 bRU 可作为支架合成完全可生物降解的树枝状分子和/或 "混合 "或 "混合 "可生物降解的树枝状分子，呈现出可生物降解的外壳和现有树枝状系统的水解稳定/不可降解的内核，特别是它与式 (I) 的可生物降解树枝状结构有关。