2-butyl-2,6,6-trimethylpiperidin-4-one | 1294503-91-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: 2-butyl-2,6,6-trimethylpiperidin-4-one
• CAS: 1294503-91-5
• 化学式: C₁₂H₂₃NO
• 分子量: 197.321
• InChiKey: KJORZWRLIUEPKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-butyl-2,6,6-trimethylpiperidin-4-one 在 sodium tungstate (VI) dihydrate 、 双氧水 作用下， 以 甲醇 为溶剂， 以32%的产率得到2-butyl-2,6,6-trimethylpiperidin-4-one-1-oxyl
  参考文献：
  名称：

  Structural Concept of Nitroxide As a Lipid Peroxidation Inhibitor

  摘要：

  Nitroxides have antioxidative activities toward lipid peroxidation, but the influence of steric factors is not known. We synthesized alkyl-substituted nitroxides at the alpha-position of the N-O moiety to enhance lipophilicity and the bulk effect. There was good correlation between the IC(50) and lipophilicity (log P(o/w)) of nitroxides with use of the thiobarbituric acid-reactive substances (TBARS) assay. Furthermore, an inhibitory effect on the TBARS assay was dependent upon the number and length of alkyl groups, though nitroxides had almost identical lipophilicity.

  DOI：

  10.1021/jo200361p
• 作为产物：
  描述：

  1,2,2,6,6-五甲基-4-哌啶酮 、 2-己酮 在 苄基三甲基氢氧化铵 、 氯化铵 作用下， 以 二甲基亚砜 为溶剂， 反应 4.5h， 以12%的产率得到2-butyl-2,6,6-trimethylpiperidin-4-one
  参考文献：
  名称：

  Structural Concept of Nitroxide As a Lipid Peroxidation Inhibitor

  摘要：

  Nitroxides have antioxidative activities toward lipid peroxidation, but the influence of steric factors is not known. We synthesized alkyl-substituted nitroxides at the alpha-position of the N-O moiety to enhance lipophilicity and the bulk effect. There was good correlation between the IC(50) and lipophilicity (log P(o/w)) of nitroxides with use of the thiobarbituric acid-reactive substances (TBARS) assay. Furthermore, an inhibitory effect on the TBARS assay was dependent upon the number and length of alkyl groups, though nitroxides had almost identical lipophilicity.

  DOI：

  10.1021/jo200361p

文献信息

• PROCESSES FOR PREPARING PYRROLIDINE COMPOUNDS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20200369608A1

  公开（公告）日：2020-11-26

  Processes for preparing 5,5-dimethyl-3-methylenepyrrolidin-2-one, (S)-3,5,5-trimethylpyrrolidine-2-one, (R)-3,5,5-trimethylpyrrolidine-2-one, (S)-2,4,4-trimethylpyrrolidine, and (R)-2,4,4-trimethylpyrrolidine, and their salt forms are disclosed.
• [EN] NOVEL NITROXYL RADICAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF<br/>[FR] NOUVEAU RADICAL NITROXYLE ET PROCÉDÉ DE PRODUCTION ASSOCIÉ
  申请人：UNIV KYUSHU NAT UNIV CORP

  公开号：WO2011052759A1

  公开（公告）日：2011-05-05

  　【解決手段】　本発明は、新規なニトロキシルラジカルの製造方法ならびにその化合物に関する。さらに、本願製造方法により得られるニトロキシルラジカルは、胃潰瘍及び高血圧症に対して治療効果を有するものである。