3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
• 英文别名: (2R)-4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one
• 化学式: C₅H₃Cl₃O₃
• 分子量: 217.436
• InChiKey: WNTRMRXAGJOLCU-SCSAIBSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 在 硫酸 作用下， 反应 1.0h， 生成 3-chloro-4-(dichloromethyl)-5-methoxy-2,5-dihydrofuran-2-one
  参考文献：
  名称：

  Derivatization of the mutagen mx (3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone) with butyl alcohols prior to gc-ms analysis

  摘要：

  An extremely potent mutagen, 3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is commonly present in chlorinated drinking water. Due to its high mutagenic activity and according to WHO guidelines its concentration should be controlled in drinking waters. Determination of MX is difficult due to the low (ppt) levels at which the compound usually exists in drinking waters. Results obtained with butanols as MX derivatization agents are shown and derivatization with sec-butanol is presented as a method which significantly lowers GC;MS detection levels of MX. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0043-1354(00)00456-5

文献信息

• Derivatization of the mutagen mx (3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone) with butyl alcohols prior to gc-ms analysis
  作者：Jacek Nawrocki、PrzemysŁaw Andrzejewski、Henryk Jeleń、Erwin WĄsowicz

  DOI：10.1016/s0043-1354(00)00456-5

  日期：2001.6

  An extremely potent mutagen, 3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is commonly present in chlorinated drinking water. Due to its high mutagenic activity and according to WHO guidelines its concentration should be controlled in drinking waters. Determination of MX is difficult due to the low (ppt) levels at which the compound usually exists in drinking waters. Results obtained with butanols as MX derivatization agents are shown and derivatization with sec-butanol is presented as a method which significantly lowers GC;MS detection levels of MX. (C) 2001 Elsevier Science Ltd. All rights reserved.