N-methyl-4-(prop-2-yn-1-yloxy)aniline | 1178112-51-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-methyl-4-(prop-2-yn-1-yloxy)aniline
• 英文别名: N-methyl-4-prop-2-ynoxyaniline
• CAS: 1178112-51-0
• 化学式: C₁₀H₁₁NO
• mdl: MFCD12784609
• 分子量: 161.203
• InChiKey: OCDDSDVCUYZTCB-UHFFFAOYSA-N

物化性质

• 沸点：
  288.9±25.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-4-(prop-2-yn-1-yloxy)aniline 在 copper(II) sulfate 、 sodium ascorbate 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  N-Methyl-N-phenylvinylsulfonamides for Cysteine-Selective Conjugation

  摘要：

  Use of N-methyl-N-phenylvinylsulfonamides to perform chemoselective modification of cysteine-containing peptides and proteins is reported. Probes linked to the drug were applicable to prepare antibody-drug conjugates (ADCs). The drug-antibody ratio for ADCs was controlled by rationally tuning the electron deficiency and linker hydrophilicity of the probes.

  DOI：

  10.1021/acs.orglett.8b02849
• 作为产物：
  描述：

  对甲氨基酚 在 potassium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 N-methyl-4-(prop-2-yn-1-yloxy)aniline
  参考文献：
  名称：

  N-Methyl-N-phenylvinylsulfonamides for Cysteine-Selective Conjugation

  摘要：

  Use of N-methyl-N-phenylvinylsulfonamides to perform chemoselective modification of cysteine-containing peptides and proteins is reported. Probes linked to the drug were applicable to prepare antibody-drug conjugates (ADCs). The drug-antibody ratio for ADCs was controlled by rationally tuning the electron deficiency and linker hydrophilicity of the probes.

  DOI：

  10.1021/acs.orglett.8b02849

文献信息

• <i>N</i>-Methyl-<i>N</i>-phenylvinylsulfonamides for Cysteine-Selective Conjugation
  作者：Rong Huang、Zhihong Li、Yao Sheng、Jianghui Yu、Yue Wu、Yuexiong Zhan、Hongli Chen、Biao Jiang

  DOI：10.1021/acs.orglett.8b02849

  日期：2018.10.19

  Use of N-methyl-N-phenylvinylsulfonamides to perform chemoselective modification of cysteine-containing peptides and proteins is reported. Probes linked to the drug were applicable to prepare antibody-drug conjugates (ADCs). The drug-antibody ratio for ADCs was controlled by rationally tuning the electron deficiency and linker hydrophilicity of the probes.