Methyl 2-acetyloxy-2-(3-iodo-4-methoxyphenyl)acetate | 918658-21-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-acetyloxy-2-(3-iodo-4-methoxyphenyl)acetate
• CAS: 918658-21-6
• 化学式: C₁₂H₁₃IO₅
• 分子量: 364.137
• InChiKey: DBJDLMAROXECAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2-acetyloxy-2-(3-iodo-4-methoxyphenyl)acetate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以92%的产率得到Methyl 2-hydroxy-2-(3-iodo-4-methoxyphenyl)acetate
  参考文献：
  名称：

  Genotoxic activity of halogenated phenylglycine derivatives

  摘要：

  The discovery of genotoxic amino acids derived from phenylglycine, and possessing halogen substituents, is described. The utility of hypervalent iodine reagents in the synthesis of this class of compounds is highlighted. The mechanism of action of the (haloaryl)glycines was studied in Saccharomyces cerevisiae.

  DOI：

  10.1016/j.bmcl.2006.08.111
• 作为产物：
  描述：

  碘苯二乙酸 、 4-甲氧基苯乙酸甲酯 在 碘 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以55%的产率得到甲基(3-碘-4-甲氧基苯基)乙酸酯
  参考文献：
  名称：

  Genotoxic activity of halogenated phenylglycine derivatives

  摘要：

  The discovery of genotoxic amino acids derived from phenylglycine, and possessing halogen substituents, is described. The utility of hypervalent iodine reagents in the synthesis of this class of compounds is highlighted. The mechanism of action of the (haloaryl)glycines was studied in Saccharomyces cerevisiae.

  DOI：

  10.1016/j.bmcl.2006.08.111

文献信息

• Genotoxic activity of halogenated phenylglycine derivatives
  作者：Alicia Boto、Juan A. Gallardo、Rosendo Hernández、Francisco Ledo、Ana Muñoz、José R. Murguía、Mauricio Menacho-Márquez、Aurelio Orjales、Carlos J. Saavedra

  DOI：10.1016/j.bmcl.2006.08.111

  日期：2006.12

  The discovery of genotoxic amino acids derived from phenylglycine, and possessing halogen substituents, is described. The utility of hypervalent iodine reagents in the synthesis of this class of compounds is highlighted. The mechanism of action of the (haloaryl)glycines was studied in Saccharomyces cerevisiae.