Methanesulfonic acid 2-[2-(4-chloro-3,5-dimethyl-phenoxy)-ethanesulfonyl]-4-methanesulfonyloxy-butyl ester | 68381-76-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Methanesulfonic acid 2-[2-(4-chloro-3,5-dimethyl-phenoxy)-ethanesulfonyl]-4-methanesulfonyloxy-butyl ester
• 英文别名: [3-[2-(4-Chloro-3,5-dimethylphenoxy)ethylsulfonyl]-4-methylsulfonyloxybutyl] methanesulfonate
• CAS: 68381-76-0
• 化学式: C₁₆H₂₅ClO₉S₃
• 分子量: 493.02
• InChiKey: GHGZJBDWJFWUOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  155
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-(2-bromoethoxy)-2-chloro-1,3-dimethylbenzene 在 吡啶 、 lithium aluminium tetrahydride 、 双氧水 、 sodium ethanolate 、 ortho-tungstic acid 作用下， 生成 Methanesulfonic acid 2-[2-(4-chloro-3,5-dimethyl-phenoxy)-ethanesulfonyl]-4-methanesulfonyloxy-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

文献信息

• Potential bis-alkylating agents for cancer chemotherapy. Approaches to the synthesis of 2-sulfonyl-1,4-bis(dimethanesulfonoxy)butanes
  作者：James M. Wilbur

  DOI：10.1021/jm00209a017

  日期：1978.11

  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.