n-hexylammonium acetate | 23239-72-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: n-hexylammonium acetate
• 英文别名: 1-Hexanamine, acetate (1:1)；acetic acid;hexan-1-amine
• CAS: 23239-72-7
• 化学式: C₂H₄O₂*C₆H₁₅N
• 分子量: 161.244
• InChiKey: HSULLSUSGAHAOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  双去甲氧基姜黄素 、 n-hexylammonium acetate 在 Montmorillonite K-10 作用下， 反应 0.02h， 以18%的产率得到1-hexyl-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyridin-4-one
  参考文献：
  名称：

  Synthesis of novel 2,3-dihydro-4-pyridinones from bisdemethoxycurcumin under microwave irradiation

  摘要：

  A novel synthesis of 2,3-dihydro-4-pyridinones via the reaction of bisdemethoxycurcumin and primary amines or amine acetates is demonstrated. The structures of the products were established by elemental analysis and from mass, H-1 and C-13 NMR spectra. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.115
• 作为产物：
  描述：

  正己胺 、 溶剂黄146 以100%的产率得到n-hexylammonium acetate
  参考文献：
  名称：

  Drug specific, tuning of an ionic liquid's hydrophilic–lipophilic balance to improve water solubility of poorly soluble active pharmaceutical ingredients

  摘要：

  两性霉素B和伊曲康唑被用来证明，离子液体可以被设计或选择，以提供一种离子的可调亲水性和另一种离子的亲脂性，从而使其能够匹配需要溶解难溶于水的活性药物成分的结构要求。这些液体两亲性助剂可以作为药物输送系统和溶解剂，改善许多药物的水溶性。通过利用设计的离子液体作为助剂，在去离子水、模拟胃液、模拟 intestinal fluid和磷酸盐缓冲溶液中的溶解度都大大改善了当前的药物输送方法。

  DOI：

  10.1039/c3nj00454f

文献信息

• Selective Synthesis of Secondary and Tertiary Amines by Cp*Iridium-Catalyzed Multialkylation of Ammonium Salts with Alcohols
  作者：Ryohei Yamaguchi、Shoko Kawagoe、Chiho Asai、Ken-ichi Fujita

  DOI：10.1021/ol702522k

  日期：2008.1.1

  synthesis of secondary and tertiary amines has been achieved by means of Cp*Ir-catalyzed multialkylation of ammonium salts with alcohols without solvent: the reactions of ammonium acetate with alcohols gave tertiary amines exclusively, while those of ammonium tetrafluoroborate afforded secondary amines selectively. Using this method, secondary 5- and 6-membered cyclic amines were synthesized from ammonium

  通过Cp * Ir催化的铵盐与醇的无溶剂多烷基化反应已经实现了仲胺和叔胺的有效选择性合成：乙酸铵与醇的反应仅产生叔胺，而四氟硼酸铵的胺选择性地提供了仲胺。使用这种方法，在一锅中由四氟硼酸铵和二醇合成了五元​​和六元仲胺。
• [EN] NOVEL TETRAGALNAC AND PEPTIDE CONTAINING CONJUGATES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES<br/>[FR] NOUVEAUX CONJUGUÉS CONTENANT TÉTRAGALNAC ET PEPTIDE ET PROCÉDÉS POUR L'ADMINISTRATION D'OLIGONUCLÉOTIDES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013166155A1

  公开（公告）日：2013-11-07

  Disclosed herein is a modular composition comprising 1) an oligonucleotide; 2) one or more tetraGalNAc ligands of Formula (I), which may be the same or different; optionally, 3) one or more linkers, which may be the same or different; 4) one or more peptides independently selected from Table 3, which may be the same or different; and optionally, 5) one or more targeting ligands, solubilizing agents, pharmacokinetics enhancing agents, lipids, and/or masking agents.

  本文揭示了一种模块化组合物，包括1）寡核苷酸；2）一个或多个符合式(I)的四聚GalNAc配体，可以相同也可以不同；可选地，3）一个或多个连接剂，可以相同也可以不同；4）从表3中独立选择的一个或多个肽，可以相同也可以不同；以及可选地，5）一个或多个靶向配体、增溶剂、药代动力学增强剂、脂质和/或掩蔽剂。
• Drug specific, tuning of an ionic liquid's hydrophilic–lipophilic balance to improve water solubility of poorly soluble active pharmaceutical ingredients
  作者：Parker D. McCrary、Preston A. Beasley、Gabriela Gurau、Asako Narita、Patrick S. Barber、O. Andreea Cojocaru、Robin D. Rogers

  DOI：10.1039/c3nj00454f

  日期：——

  Amphotericin B and itraconazole were used to demonstrate that ionic liquids can be designed or chosen to provide tunable hydrophilicity in one ion and lipophilicity in the other allowing one to match the structural requirements needed to solubilize poorly water soluble active pharmaceutical ingredients. These liquid, amphiphilic excipients could be used as both drug delivery systems and solubilization agents to improve the aqueous solubility of many drugs. The solubility in deionized water, simulated gastric fluid, simulated intestinal fluid, and phosphate buffer solution was greatly improved over current methods for drug delivery by utilizing designed ionic liquids as excipients.

  两性霉素B和伊曲康唑被用来证明，离子液体可以被设计或选择，以提供一种离子的可调亲水性和另一种离子的亲脂性，从而使其能够匹配需要溶解难溶于水的活性药物成分的结构要求。这些液体两亲性助剂可以作为药物输送系统和溶解剂，改善许多药物的水溶性。通过利用设计的离子液体作为助剂，在去离子水、模拟胃液、模拟 intestinal fluid和磷酸盐缓冲溶液中的溶解度都大大改善了当前的药物输送方法。
• Studies related to cephalosporins. Part 2 . Displacement reactions on 3-bromomethylcephems with salts of carboxylic acids
  作者：Maurizio Botta、Francesco De Angelis、Ingeborg Grgurina、Mauro Marzi、Rosario Nicoletti

  DOI：10.1002/jhet.5570220414

  日期：1985.7

  The reactivity of Δ3- and Δ2-3-bromomethylcephems toward carboxylate nucleophiles has been studied. The Δ3-bromomethylcephem 1, less reactive than the Δ2-analogue 4, is converted in high yields into 3-acyl-oxymethyl-3-cephems 2a-d, generally with no isomerization of the double bond, only within a narrow range of conditions. In particular, the Δ3-7-aminocephalosporanic acid (7-ACA) derivative 2a has

  Δ的反应3和Δ - 2朝向羧酸的亲核试剂-3- bromomethylcephems进行了研究。的Δ 3 -bromomethylcephem 1，比Δ反应性较低的2 -analogue 4，被转换以高产率成3-酰基-氧甲基-3-头孢图2a-d ，一般用无异构化的双键的，仅在一个窄的范围内条件。特别地，Δ 3 -7-氨基头孢烷酸（7-ACA）衍生物2a中已经获得如在91％产率的唯一产品通过处理1在乙酸与三乙基乙酸铵。
• [EN] CARBONIC ANHYDRASE INHIBITORS AND METHOD OF THEIR PRODUCTION<br/>[FR] INHIBITEURS DE L'ANHYDRASE CARBONIQUE ET PROCÉDÉ DE PRODUCTION ASSOCIÉ
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY V V I

  公开号：WO2013060307A1

  公开（公告）日：2013-05-02

  The invention describes new derivatives of boron cluster compounds of general formula (I) and their pharmaceutically acceptable salts and solvates, and their specific inhibition effect on the enzyme carbonic anhydrase IX, a protein overexpressed in cancer tissues. The invention also includes methods of synthesis and the use of the novel derivatives. The inhibitiors of human carbonic anhydrase IX of this invention can be used as active compounds of pharmaceuticals for diagnostics and/or therapy of cancer diseases. (Formula (I)) ˙

  该发明描述了一般式（I）的硼簇化合物的新衍生物及其药学上可接受的盐和溶剂，以及它们对酶碳酸酐酶IX的特异抑制作用，该酶在癌组织中过度表达。该发明还包括合成方法和新型衍生物的用途。该发明的人类碳酸酐酶IX的抑制剂可以作为用于癌症疾病诊断和/或治疗的药物的活性化合物。（式（I））