tert-butyl (5S)-2-methoxy-5-(methoxymethyl)pyrrolidine-1-carboxylate | 916049-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-butyl (5S)-2-methoxy-5-(methoxymethyl)pyrrolidine-1-carboxylate
• CAS: 916049-17-7
• 化学式: C₁₂H₂₃NO₄
• 分子量: 245.319
• InChiKey: MPQAJDKZSQFSDK-RGURZIINSA-N

物化性质

• 沸点：
  297.7±25.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  48.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (5S)-2-methoxy-5-(methoxymethyl)pyrrolidine-1-carboxylate 在 盐酸 、 tetrabutylammonium tetrafluoroborate 、 lithium 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 31.67h， 生成 [1-benzyl-2-(2-methoxy-5-methoxymethylpyrrolidin-1-yl)-2-oxoethyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  Building Functionalized Peptidomimetics:  Use of Electroauxiliaries for Introducing N-Acyliminium Ions into Peptides

  摘要：

  A series of silyl-substituted amino acids have been synthesized, inserted into peptides, and then employed as precursors for oxidatively generating reactive N-acyliminium ions. Both electrochemical and chemical oxidation procedures have been employed. N-Acyliminium ion generation in a solid-phase substrate as well as application to a small library of functionalized dipeptides has been demonstrated. Limitations in terms of how electron-rich the silyl groups can be as well as the compatibility of multiple silyl groups within a longer peptide are defined.

  DOI：

  10.1021/ja064737l
• 作为产物：
  描述：

  tert-butyl (5S)-2-hydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate 在 盐酸 、 sodium hydride 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.25h， 生成 tert-butyl (5S)-2-methoxy-5-(methoxymethyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  KRAS G12D 저해제로서 신규한 3환 화합물 및 이의 용도

  摘要：

  본 출원은 KRAS G12D 저해제로서의 신규한 3환 유도체 화합물 및 이의 용도에 관한 것으로, 본 출원의 일 예에 따른 화합물은 KRAS G12D 돌연변이 단백질의 활성을 억제하여 KRAS G12D 돌연변이에 의해 유발되는 질환의 예방 또는 치료에 사용될 수 있다.

  公开号：

  WO2024123102A1

文献信息

• WO2024091409A1
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS<br/>[FR] DÉRIVÉS D'ALKYLIDÈNE EN TANT QU'INHIBITEURS DE KRAS
  申请人：[en]NIKANG THERAPEUTICS, INC.

  公开号：WO2023284730A1

  公开（公告）日：2023-01-19

  The present disclosure provides certain alkylidenyl derivatives that inhibit certain K-Ras proteins and are therefore useful for the treatment of cancers mediated by such proteins. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds. 114342739v.1