2-(undecane-1-sulfonyl)-butane-1,4-diol | 68381-64-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 2-(undecane-1-sulfonyl)-butane-1,4-diol
• CAS: 68381-64-6
• 化学式: C₁₅H₃₂O₄S
• 分子量: 308.483
• InChiKey: SHDKRMPDIHSVQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  20.0
• 可旋转键数：
  14.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  74.6
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(undecane-1-sulfonyl)-butane-1,4-diol 、 甲基磺酰氯 在 吡啶 作用下， 生成 Methanesulfonic acid 4-methanesulfonyloxy-2-(undecane-1-sulfonyl)-butyl ester
  参考文献：
  名称：

  Potential bis-alkylating agents for cancer chemotherapy. Approaches to the synthesis of 2-sulfonyl-1,4-bis(dimethanesulfonoxy)butanes

  摘要：

  Three general methods for the synthesis of derivatives of the bis-alkylating agent, myleran [1,4-bis(methane-sulfonoxy)butane (1)], are presented. These derivatives contain a lipophilic group attached to the 2 position of 1,4-bis(methanesulfonoxy)butane by means of a sulfonyl function. As examples of the scope of the methods, the synthesis of seven such derivatives (12a-g) is presented. All seven were inactive against L1210 and P388 leukemia in the mouse.

  DOI：

  10.1021/jm00209a017
• 作为产物：
  描述：

  1,4-diacetoxy-2-undecylsulfanyl-butane 在 sodium hydroxide 、 双氧水 、 ortho-tungstic acid 作用下， 以 甲醇 为溶剂， 生成 2-(undecane-1-sulfonyl)-butane-1,4-diol
  参考文献：
  名称：

  Potential bis-alkylating agents for cancer chemotherapy. Approaches to the synthesis of 2-sulfonyl-1,4-bis(dimethanesulfonoxy)butanes

  摘要：

  Three general methods for the synthesis of derivatives of the bis-alkylating agent, myleran [1,4-bis(methane-sulfonoxy)butane (1)], are presented. These derivatives contain a lipophilic group attached to the 2 position of 1,4-bis(methanesulfonoxy)butane by means of a sulfonyl function. As examples of the scope of the methods, the synthesis of seven such derivatives (12a-g) is presented. All seven were inactive against L1210 and P388 leukemia in the mouse.

  DOI：

  10.1021/jm00209a017