omega-羟基-避蚊胺 | 72236-22-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: omega-羟基-避蚊胺
• 英文名称: N,N-Diethyl-m-hydroxymethylbenzamide
• 英文别名: N,N-diethyl-3-hydroxymethylphenylamide；N,N-diethyl-3-(hydroxymethyl)benzamide
• CAS: 72236-22-7
• 化学式: C₁₂H₁₇NO₂
• mdl: MFCD00871280
• 分子量: 207.272
• InChiKey: FRZJZRVZZNTMAW-UHFFFAOYSA-N

物化性质

• 沸点：
  383.1±25.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

ADMET

代谢

N,N-二乙基-m-羟甲基苯甲酰胺是DEET已知的人类代谢物。

N,N-diethyl-m-hydroxymethylbenzamide is a known human metabolite of DEET.

来源:NORMAN Suspect List Exchange

安全信息

• 储存条件：
  室温

制备方法与用途

生物活性

ω-羟基-DEET 是驱虫剂 DEET 的主要代谢产物。它具有抗增殖作用。DEET 是一种空间驱避剂和刺激性物质，常用于防止与蚊子接触。

体外研究

肝癌细胞研究表明，在0.1至10 μg/mL浓度下（48-72小时），ω-羟基-DEET (DHMB) 处理会降低细胞增殖。

体内研究

在大鼠中，经静脉注射和局部皮肤涂抹 DEET 后，代谢产物 ω-羟基-DEET （DHMB）分布广泛。重复每日一次的局部应用30天后，肝中的ω-羟基-DEET 浓度较高。

反应信息

• 作为产物：
  描述：

  避蚊胺 以 水 为溶剂， 生成 omega-羟基-避蚊胺 、 N-乙基-3-甲基-苯甲酰胺 、 N-ethyl-4-hydroxy-3-methylphenylamide 、 N,N-diethyl-tetrahydroxy-3-methylphenylamide 、 N,N-二乙基-3-羟基苯甲酰胺 、 N,N-diethyl-4-hydroxy-3-methylphenylamide 、 N,N-diethyl-2-hydroxy-3-methylphenylamide
  参考文献：
  名称：

  Photolytic degradation of N,N-diethyl-m-toluamide in ice and water: Implications in its environmental fate

  摘要：

  The photochemical transformation of N,N-diethyl-m-toluamide (DEET), one of the most widespread and efficient mosquito repellents, has been investigated. Initially, photoinduced DEET degradation was investigated in liquid samples, at 20 degrees C and 0 degrees C, and in ice (-15 degrees C), aimed to simulate all possible photoinduced processes occurring in water and in cold environments. Under UV-illumination, DEET degradation was more efficient in ice than in water. The evaluation of transformation products (TPs) formed during the photolysis in solution and in ice evidences mostly the same degradation products, but with different concentration ratio and some peculiar differences. An hypothesis about what kind of processes may play a role is reported. In solution, the oxidative process mostly involved were (poly)hydroxylation or oxidation of the hydroxyl groups, while in ice N-dealkylation and monohydroxylation prevail. Finally, DEET and its TPs were searched out in snow and river water in wintertime. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2013.08.001

文献信息

• Production of cyclodextrin complexes
  申请人：——

  公开号：US20020120131A1

  公开（公告）日：2002-08-29

  The process entails increasing the concentration of cyclodextrin to 15% (w/w) and above to form complexes through a precipitation process in order to increase the yield of complexes, increase the amount of guest complexed, and decrease the particle size of the complex.

  该工艺需要将环糊精的浓度提高到 15%（w/w）及以上，通过沉淀过程形成络合物，以提高络合物的产量，增加络合客体的数量，并减小络合物的粒径。
• PRODUCTION OF CYCLODEXTRIN COMPLEXES
  申请人：CERESTAR HOLDING B.V.

  公开号：EP1265931A1

  公开（公告）日：2002-12-18
• EP1265931A4
  申请人：——

  公开号：EP1265931A4

  公开（公告）日：2003-03-26
• US6884885B2
  申请人：——

  公开号：US6884885B2

  公开（公告）日：2005-04-26
• [EN] PRODUCTION OF CYCLODEXTRIN COMPLEXES<br/>[FR] PRODUCTION DE COMPLEXES DE CYCLODEXTRINE
  申请人：CERESTAR HOLDING BV

  公开号：WO2002050124A1

  公开（公告）日：2002-06-27

  The process entails increasing the concentration of cyclodextrin to 15 % (w/w) and above to form complexes through a precipitation process in order to increase the yield of complexes, increase the amount of guest complexed, and decrease the particle size of the complex.