1-benzyl-4,4-dimethoxy-piperidine | 21875-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-benzyl-4,4-dimethoxy-piperidine
• 英文别名: N-Benzyl-4,4-dimethoxy-piperidin；Piperidine, 4,4-dimethoxy-1-(phenylmethyl)-；1-benzyl-4,4-dimethoxypiperidine
• CAS: 21875-61-6
• 化学式: C₁₄H₂₁NO₂
• 分子量: 235.326
• InChiKey: XKJSCXWZOVORMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-benzyl-4,4-dimethoxy-piperidine 在 三氟甲磺酸三甲基硅酯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine
  参考文献：
  名称：

  Synthesis of 5-Azaindoles via a Cycloaddition Reaction between Nitriles and Donor−Acceptor Cyclopropanes

  摘要：

  A new method for the synthesis of 5-azaindole derivatives is reported. A [3+2] dipolar cycloaddition between nitriles and a 3,4-cyclopropanopiperidirie followed by SeO2 oxidation affords the target compounds in moderate to excellent yields. The divergent nature and cost effectiveness of this method makes it very suitable for combinatorial applications in the pharmaceutical industry.

  DOI：

  10.1021/ol101078z
• 作为产物：
  描述：

  甲醇 、 N-苄基哌啶酮 在 乙酰氯 作用下， 以95%的产率得到1-benzyl-4,4-dimethoxy-piperidine
  参考文献：
  名称：

  Synthesis of 5-Azaindoles via a Cycloaddition Reaction between Nitriles and Donor−Acceptor Cyclopropanes

  摘要：

  A new method for the synthesis of 5-azaindole derivatives is reported. A [3+2] dipolar cycloaddition between nitriles and a 3,4-cyclopropanopiperidirie followed by SeO2 oxidation affords the target compounds in moderate to excellent yields. The divergent nature and cost effectiveness of this method makes it very suitable for combinatorial applications in the pharmaceutical industry.

  DOI：

  10.1021/ol101078z

文献信息

• PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS
  申请人：Relay Therapeutics, Inc.

  公开号：EP3630770A1

  公开（公告）日：2020-04-08
• [EN] PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLO[3,4-B]PYRAZINE EN TANT QU'INHIBITEURS DE LA PHOSPHATASE SHP2
  申请人：RELAY THERAPEUTICS INC

  公开号：WO2018218133A1

  公开（公告）日：2018-11-29

  The present disclosure relates to compounds of formula (I) and pharmaceutical compositions thereof, and methods for inhibiting the activity of SHP2 phosphatase with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with SHP2 deregulation with the compounds and compositions of the disclosure