5-Acetamido-2-hexanon | 52890-49-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-Acetamido-2-hexanon
• 英文别名: N-(5-oxohexan-2-yl)acetamide
• CAS: 52890-49-0
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: JOXCJSAUKBOSOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 生成 5-Acetamido-2-hexanon
  参考文献：
  名称：

  .beta.-Electrophilic Additions of Pentaammineosmium(II) .eta.2-Pyrrole Complexes

  摘要：

  The reactivity of a series of pyrrole complexes of the form [Os(NH3)(5)(4,5-eta(2)-L)](2+)(OTf)(2) (L = pyrrole and alkylated pyrroles) is surveyed with various electrophiles. The pyrrole ligand undergoes alkylation or acylation with a wide variety of electrophiles (e.g., acids, alkyl triflates, anhydrides, aldehydes, ketones, and Michael accepters) predominately at the -position. Depending on reaction conditions, the resulting products are either beta-substituted 1H-pyrrole or 3H-pyrrolium complexes, the latter of which resist rearomatization due to the electron-donating properties of the metal. In all cases observed, the initial addition of the electrophile occurs on the ring face anti to osmium coordination. The osmium(II)-4,5-eta(2)-pyrrole complexes are each in dynamic equilibrium with a minor isomer where the metal binds across C(3) and C(4). In this form, the uncoordinated portion of the pyrrole ring resembles an azomethine ylide, which can undergo a 1,3-dipolar cycloaddition reaction with certain electrophiles. The resulting 7-azanorbornene complexes may be ring-opened with Lewis acids to generate a-substituted 2H-pyrrolium complexes. As with the 3H-pyrrolium species, the 2H-pyrrolium complexes are stabilized by metal coordination and thereby resist rearomatization. The selectivity between Michael addition and dipolar cycloaddition depends on the pyrrole, electrophile, solvent, temperature, the presence of Lewis acids, and in some cases, concentration. The iminium carbon of both 2H- and 3H-pyrrolium tautomers is considerably less electrophilic than its organic analogs, but readily undergoes borohydride reduction to form complexes of 3- and 2-pyrrolines, respectively. When pyrrole complexes are combined with alkyne Michael accepters, the intermediate enolate can be trapped by the iminium carbon of the 3H-pyrrolium species in DMSO to form a metalated cyclobutene derivative. Decomplexation of most pyrrole and S-pyrroline derivatives can be accomplished in good yield either by heating or by oxidation of the metal (Ce-IV or DDQ). Complexes of 2-pyrrolines are considerably more difficult to remove from the metal; however, quaternization or acylation of the nitrogen facilitates their decomplexation.

  DOI：

  10.1021/jo00112a037

文献信息

• [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof
  申请人：Masuda Akira

  公开号：US20070010515A1

  公开（公告）日：2007-01-11

  Novel [1,2,4]triazolo[1,5-a]pyrimidine derivative of the general formula (1): (1) its prodrug or a pharmaceutically acceptable salt thereof, which exhibits an antigen presentation inhibiting activity and is useful as a preventive and/or therapeutic agent for immunological rejection and/or graft versus host reaction in organ/bone marrow transplant, autoimmune disease, allergic disease and/or inflammatory disease and also useful as an anticancer drug or as an immunological tolerance inducer for transplanted organ/transplanted bone marrow.

  这是一种通式为(1)的[1,2,4]三唑并[1,5-a]嘧啶衍生物的小说，其中(1)是其前药或其药学上可接受的盐，具有抗原呈递抑制活性，可用作预防和/或治疗器官/骨髓移植、自身免疫性疾病、过敏性疾病和/或炎症性疾病的免疫排斥和/或移植物抗宿主反应的预防和/或治疗剂，同时也可用作抗癌药物或用于移植器官/移植骨髓的免疫耐受诱导剂。
• [EN] POLYPEPTIDE DERIVATIVE AND PREPARATION METHOD THEREFOR<br/>[FR] DÉRIVÉ POLYPEPTIDIQUE ET SON PROCÉDÉ DE PRÉPARATION<br/>[ZH] 多肽衍生物及其制备方法
  申请人：NINGBO KUNPENG BIOTECH CO LTD

  公开号：WO2020228610A1

  公开（公告）日：2020-11-19

  提供了多肽衍生物及其制备方法。具体地，提供了一种多肽衍生物。实验结果表明，所述多肽衍生物在保持生物活性的同时半衰期显著延长。还公开了所述多肽衍生物的制备方法，及其在治疗中的作用。
• [EN] POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF<br/>[FR] MÉDICAMENT CONJUGUÉ DE POLYÉTHYLÈNE GLYCOL, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 一种聚乙二醇偶联药物、其制备方法及用途
  申请人：CHONGQING UPGRA BIOLOGICAL SCI & TECH LTD

  公开号：WO2021104120A1

  公开（公告）日：2021-06-03

  一种聚乙二醇偶联药物、其制备方法及用途，具体涉及如式（I）所示的聚乙二醇偶联药物或其药学上可接受的盐。还涉及所述聚乙二醇偶联药物或其药学上可接受的盐的制备方法和中间体，包含所述聚乙二醇偶联药物或其药学上可接受的盐的药物组合物和在制备药物中的用途。
• Remote, anodic rearrangement-substitution reaction of aliphatic ketones
  作者：James Y. Becker、Larry R. Byrd、Larry L. Miller

  DOI：10.1021/ja00821a083

  日期：1974.7
• Remote anodic substitution of ketones
  作者：James Y. Becker、Larry R. Byrd、Larry L. Miller、Ying-Hung So

  DOI：10.1021/ja00837a027

  日期：1975.2