2-[2-氧代-2-(1-哌啶基)乙氧基]苯甲醛 | 125418-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-[2-氧代-2-(1-哌啶基)乙氧基]苯甲醛
• 英文名称: 2-[2-Oxo-2-(1-piperidinyl)ethoxy]benzaldehyde
• 英文别名: 2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
• CAS: 125418-89-5
• 化学式: C₁₄H₁₇NO₃
• mdl: MFCD08691969
• 分子量: 247.294
• InChiKey: KHYZSSDWPPTXEK-UHFFFAOYSA-N

物化性质

• 熔点：
  67-69 °C
• 沸点：
  455.1±25.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-[2-氧代-2-(1-哌啶基)乙氧基]苯甲醛 、 5-氨基-5-脱氧-2,3-O-(1-甲基亚乙基)-腺苷酸 以 甲醇 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Parallel Solution-Phase Synthesis of an Adenosine Antibiotic Analog Library

  摘要：

  A library of eighty one adenosine antibiotic analogs was prepared under the Pilot Scale Library Program of the NIH Roadmap initiative from 5'-amino-5'-deoxy-2',3'-O-isopropylidene-adenosine 3. Diverse aldehyde, sulfonyl chloride and carboxylic acid reactant sets were condensed to 3, in solution-phase fashion, leading after acid-mediated hydrolysis to the targeted compounds in good yields and high purity. No marked antituberculosis or anticancer activity was noted on preliminary cellular testing, but these nucleoside analogs should be useful candidates for other types of biological activity.

  DOI：

  10.1021/co300127z

文献信息

• Parallel Solution-Phase Synthesis and General Biological Activity of a Uridine Antibiotic Analog Library
  作者：Omar Moukha-chafiq、Robert C. Reynolds

  DOI：10.1021/co4001452

  日期：2014.5.12

  coupling of the amino terminus of d-phenylalanine methyl ester to the free 5′-carboxylic acid moiety of 33 followed by sodium hydroxide treatment led to carboxylic acid analog 77. Hydrolysis of this material gave analog 78. The intermediate 77 served as the precursor for the preparation of novel dipeptidyl uridine analogs 79–99 through peptide coupling reactions to diverse amine reactants. None of the described

  在 NIH 路线图计划的中试规模库 (PSL) 计划下，以溶液相方式从胺2和羧酸33和77合成了一个包含 94 种尿苷抗生素类似物的小型库。多样醛，磺酰氯，和羧酸反应物套缩合，2，酸介导的水解导致后，向目标化合物3 - 32以良好的收率和高的纯度。同样，用不同的胺和磺胺处理33得到34 – 75。d氨基末端的偶联-苯丙氨酸甲酯到33的游离 5'-羧酸部分，然后用氢氧化钠处理产生羧酸类似物77。该材料的水解得到类似物78。中间77担任该前体为二肽基新颖尿苷类似物的制备79 - 99通过肽偶联到不同的胺反应剂反应。所描述的化合物均未显示出显着的抗癌或抗疟活性。通过 NIH MLPCN 计划提供和报告的初级筛选中的酶和受体，许多样品表现出各种有希望的抑制性、激动剂、拮抗剂或激活剂特性。
• Tetrahydroisochinolines, their production and the use thereof as analgesics
  申请人：Gribenow Nils

  公开号：US20050049240A1

  公开（公告）日：2005-03-03

  The invention relates to novel tetrahydroisoquinolines, to processes for their preparation and to their use for producing pharmaceuticals for the treatment and/or prophylaxis of diseases, in particular of states of pain.

  本发明涉及新型四氢异喹啉、其制备工艺以及用于生产治疗和/或预防疾病（尤其是疼痛状态）的药物。
• TETRAHYDROISOCHINOLINE, IHRE HERSTELLUNG UND VERWENDUNG ALS SCHMERZMITTEL
  申请人：Bayer HealthCare AG

  公开号：EP1432686B1

  公开（公告）日：2005-06-29
• [DE] TETRAHYDROISOCHINOLINE, IHRE HERSTELLUNG UND VERWENDUNG ALS SCHMERZMITTEL<br/>[EN] TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS<br/>[FR] TETRAHYDROISOCHINOLINES, LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'ANALGESIQUES
  申请人：BAYER AG

  公开号：WO2003029221A1

  公开（公告）日：2003-04-10

  Die Erfindung betrifft neue Tetrahydroisochinoline, Verfahren zu ihrer Herstellung sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten, insbesondere von Schmerzzuständen (I).
• Parallel Solution-Phase Synthesis of an Adenosine Antibiotic Analog Library
  作者：Omar Moukha-chafiq、Robert C. Reynolds

  DOI：10.1021/co300127z

  日期：2013.3.11

  A library of eighty one adenosine antibiotic analogs was prepared under the Pilot Scale Library Program of the NIH Roadmap initiative from 5'-amino-5'-deoxy-2',3'-O-isopropylidene-adenosine 3. Diverse aldehyde, sulfonyl chloride and carboxylic acid reactant sets were condensed to 3, in solution-phase fashion, leading after acid-mediated hydrolysis to the targeted compounds in good yields and high purity. No marked antituberculosis or anticancer activity was noted on preliminary cellular testing, but these nucleoside analogs should be useful candidates for other types of biological activity.