o,p'-甲氧滴滴涕 | 30667-99-3

• 物质功能分类: 化学农药原药 - 杀虫剂 - 有机氯杀虫剂
• 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: o,p'-甲氧滴滴涕
• 英文名称: 1,1,1-trichloro-2-(2-methoxyphenyl)-2-(4-methoxyphenyl)ethane
• 英文别名: o,-p'-methoxychlor；2,4'-methoxychlor；1,1,1-trichloro-2-(2-methoxy-phenyl)-2-(4-methoxy-phenyl)-ethane；1,1,1-Trichlor-2-(2-methoxy-phenyl)-2-(4-methoxy-phenyl)-aethan；O,P'-Methoxychlor；1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
• CAS: 30667-99-3
• 化学式: C₁₆H₁₅Cl₃O₂
• 分子量: 345.653
• InChiKey: KNLLPAOBVIKLDE-UHFFFAOYSA-N

物化性质

• 熔点：
  79.5-80 °C(Solv: ethanol (64-17-5))
• 沸点：
  377 °C
• 密度：
  1.288±0.06 g/cm3(Predicted)
• 闪点：
  11 °C
• 保留指数：
  2318.9

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  F,T
• 安全说明：
  S16,S36/37,S45,S7
• 危险类别码：
  R23/24/25,R39/23/24/25,R11
• 海关编码：
  2909309090
• 危险品运输编号：
  UN 1230 3/PG 2

反应信息

• 作为反应物：
  描述：

  o,p'-甲氧滴滴涕 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 1-[2,2-二氯-1-(2-甲氧基苯基)乙烯基]-4-甲氧基苯
  参考文献：
  名称：

  甲醇促进某些1,1,1-三氯-2,2-双（苯基取代）乙烷乙烷消除反应的动力学研究

  摘要：

  研究了一些1,1,1-三氯-2,2-双（苯基取代）乙烷（1）的甲醇盐促进的消除反应。的邻位被发现是比相应的反应性较低的取代衍生物邻-未被取代的衍生物，不论其取代基的性质。反应性数据与1,1,1,1-三氯-2,2-双（苯基取代）乙烷或1,1-二氯-2,2-bis的C-β的13 C NMR化学位移值相关（苯基取代的）乙烯，对于前一种相关性获得了更好的结果。由甲醇盐促进消除1的活化参数显示出与邻位非常相似的值取代的衍生物。即使没有说服力，总数据集似乎也更能说明不可逆的E 1 cB机制。版权所有©2001 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.459
• 作为产物：
  描述：

  邻甲氧基苯甲醛 在 氢氧化钾 、 硫酸 作用下， 生成 o,p'-甲氧滴滴涕
  参考文献：
  名称：

  Physicochemical-activity relationships in asymmetrical analogues of methoxychlor

  摘要：

  Compounds of the general formula 2-aryl-2-(p-methoxyphenyl)-1,1,1-trichloroethane have been prepared and tested for toxicity toward houseflies, pretreated for 1 h with 2mug of piperonyl butoxide. The majority of the compounds synthesized were chosen with the aid of computer programs designed to ensurewell-spread sets of minimally correlated physicochemical parameter values. A nonlinear two-dimensional representation was used to map the active region of physiochemical parameter space and a regression equation was obtained relating the observed toxicity to a combination of these physicochemical parameters. The equation indicates that toxicity increases with the hydrophobicity of the molecules but is decreased markedly by the introduction of bulky substituents into the ortho positions of the benzene ring and less markedly by bulky substituents in the meta and para positions. Substituents which donate electrons to the benzene ring by the "resonance" effect favor high toxicity. The equation performs well in forecasting the toxicity of further members of the series.

  DOI：

  10.1021/jm00232a014

文献信息

• Some Positional Isomers of DDT Analogs
  作者：Stanley J. Cristol、Donald L. Harms

  DOI：10.1021/ja01176a087

  日期：1949.8
• Kinetic study of methoxide-promoted elimination reactions of some 1,1,1-trichloro-2,2-bis(phenyl-substituted)ethanes
  作者：Gianfranco Fontana、Vincenzo Frenna、Liliana Lamartina、Maria Concetta Natoli、Renato Noto

  DOI：10.1002/poc.459

  日期：2002.2

  elimination reaction of some 1,1,1-trichloro-2,2-bis(phenyl-substituted)ethanes (1) was investigated. The ortho-substituted derivatives were found to be less reactive than the corresponding ortho-unsubstituted derivatives, irrespective of the nature of their substituent. The reactivity data were correlated with the 13C NMR chemical shift values of C-β of either 1,1,1-trichloro-2,2-bis(phenyl-substituted)ethanes

  研究了一些1,1,1-三氯-2,2-双（苯基取代）乙烷（1）的甲醇盐促进的消除反应。的邻位被发现是比相应的反应性较低的取代衍生物邻-未被取代的衍生物，不论其取代基的性质。反应性数据与1,1,1,1-三氯-2,2-双（苯基取代）乙烷或1,1-二氯-2,2-bis的C-β的13 C NMR化学位移值相关（苯基取代的）乙烯，对于前一种相关性获得了更好的结果。由甲醇盐促进消除1的活化参数显示出与邻位非常相似的值取代的衍生物。即使没有说服力，总数据集似乎也更能说明不可逆的E 1 cB机制。版权所有©2001 John Wiley＆Sons，Ltd.
• Physicochemical-activity relationships in asymmetrical analogues of methoxychlor
  作者：Peter J. Goodford、Alan T. Hudson、G. Clive Sheppey、Raymond Wootton、Malcolm H. Black、Graeme J. Sutherland、John C. Wickham

  DOI：10.1021/jm00232a014

  日期：1976.10

  Compounds of the general formula 2-aryl-2-(p-methoxyphenyl)-1,1,1-trichloroethane have been prepared and tested for toxicity toward houseflies, pretreated for 1 h with 2mug of piperonyl butoxide. The majority of the compounds synthesized were chosen with the aid of computer programs designed to ensurewell-spread sets of minimally correlated physicochemical parameter values. A nonlinear two-dimensional representation was used to map the active region of physiochemical parameter space and a regression equation was obtained relating the observed toxicity to a combination of these physicochemical parameters. The equation indicates that toxicity increases with the hydrophobicity of the molecules but is decreased markedly by the introduction of bulky substituents into the ortho positions of the benzene ring and less markedly by bulky substituents in the meta and para positions. Substituents which donate electrons to the benzene ring by the "resonance" effect favor high toxicity. The equation performs well in forecasting the toxicity of further members of the series.

表征谱图