3--2-methyl-buten-(1) | 768295-91-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3--2-methyl-buten-(1)
• 英文别名: 3-Isopropylamino-2-methyl-1-buten；3-methyl-N-propan-2-ylbut-3-en-2-amine
• CAS: 768295-91-6
• 化学式: C₈H₁₇N
• mdl: MFCD19219742
• 分子量: 127.23
• InChiKey: GXWJQUVTXPUDPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3--2-methyl-buten-(1) 在 镍 氢气 作用下， 以 乙醇 为溶剂， 生成 2--3-methyl-butan
  参考文献：
  名称：

  Sterically Crowded Amines. III. β-Chloroamines and Aziridines¹

  摘要：

  DOI：

  10.1021/jo01053a044
• 作为产物：
  描述：

  生成 3--2-methyl-buten-(1)
  参考文献：
  名称：

  Sterically Crowded Amines. III. β-Chloroamines and Aziridines¹

  摘要：

  DOI：

  10.1021/jo01053a044

文献信息

• Sterically Crowded Amines. V. Hydrogen Chloride Elimination with Rearrangement in Some β-Chloroamines¹
  作者：G. F. Hennion、Andrew C. Hazy

  DOI：10.1021/jo01019a034

  日期：1965.8
• BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF
  申请人：Quadriga Biosciences, Inc.

  公开号：US20170036992A1

  公开（公告）日：2017-02-09

  β-Substituted β-amino acids, β-substituted β-amino acid derivatives, and β-substituted β-amino acid analogs and (bio)isosteres and their use as chemotherapeutic agents are disclosed. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and (bio)isosteres are selective LAT1/4F2hc substrates and exhibit rapid uptake and retention in tumors expressing the LAT1/4F2hc transporter. Methods of synthesizing the β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and methods of using the compounds for treating cancer are also disclosed. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs exhibit selective uptake in tumor cells expressing the LAT1/4F2hc transporter and accumulate in cancerous cells when administered to a subject in vivo. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and (bio)isosteres exhibit cytotoxicity toward several tumor types.
• US9783487B2
  申请人：——

  公开号：US9783487B2

  公开（公告）日：2017-10-10
• Sterically Crowded Amines. III. β-Chloroamines and Aziridines¹
  作者：G. F. Hennion、Peter E. Butler

  DOI：10.1021/jo01053a044

  日期：1962.6