1,1,1-trichloro-2,2-bis(2,5-dimethoxyphenyl)ethane | 101728-88-5

• 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: 1,1,1-trichloro-2,2-bis(2,5-dimethoxyphenyl)ethane
• 英文别名: 1,1,1-trichloro-2,2-bis-(2,5-dimethoxy-phenyl)-ethane；1,1,1-Trichlor-2,2-bis-(2,5-dimethoxy-phenyl)-aethan；β.β.β-Trichlor-α.α-bis-(2.5-dimethoxy-phenyl)-aethan；1,4-Dimethoxy-2-[2,2,2-trichloro-1-(2,5-dimethoxyphenyl)ethyl]benzene
• CAS: 101728-88-5
• 化学式: C₁₈H₁₉Cl₃O₄
• 分子量: 405.705
• InChiKey: HSCIEMUQAAQYLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1,1-trichloro-2,2-bis(2,5-dimethoxyphenyl)ethane 在 methanolate 作用下， 以 甲醇 为溶剂， 生成 1,1-dichloro-2,2-bis(2,5-dimethoxyphenyl)ethene
  参考文献：
  名称：

  Kinetic study of base-promoted elimination reactions of some 1,1,1-trihalo-2,2-bis(dimethoxyphenyl)ethanes in alcoholic solutions

  摘要：

  The base-promoted elimination reactions of 1,1,1-trichloro-2,2-bis(dimethoxyphenyl) ethanes were investigated. The bis(3,4-dimethoxyphenyl)ethane was found to be more reactive than the bis(2,5-dimethoxyphenyl)ethane and the latter more reactive than the bis(2,4-dimethoxyphenyl)ethane. Kinetic data relative to 1,1,1-trihalo(chloro or bromo)-2,2-bis(3,4-dimethoxyphenyl)ethanes show that the tribromo reacts faster than trichloro derivative and that the reactions are general-base promoted with Bronsted beta values of about 0.6. A kinetic isotope effect, with k(H)/k(D) ratio ranging from 3.5 to 5.7, for the base-promoted elimination reaction of 1,1,1-trichloro-2,2-bis(3,4-dimethoxyphenyl)ethane was found. Tunneling occurs for methoxide and ethoxide ion-promoted eliminations. Activation parameters for alkoxy-promoted elimination show a similar trend for chloride and bromide derivatives. The data collected seem to confirm that there is contiguity between E1cB(irr) and E2 mechanisms. (C) 1998 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1099-1395(199801)11:1<54::aid-poc972>3.0.co;2-d
• 作为产物：
  描述：

  水合氯醛 、 对苯二甲醚 在 硫酸 、 溶剂黄146 作用下， 生成 1,1,1-trichloro-2,2-bis(2,5-dimethoxyphenyl)ethane
  参考文献：
  名称：

  Localised enamel hypoplasia of human deciduous canines: genotype or environment?

  摘要：

  AbstractA discrete area of defective enamel formation that appears on the labial surface of the crowns of deciduous canine teeth has been described in both recent and prehistoric human population, with reported frequencies varying from 1 to 45 per cent. Suggestions about the aetiology of this localized hypoplasia range from genotypic factors to environmental conditions and systemic effects. The major aims of this study were to describe the frequency of occurrence and pattern of expression of the lesion in Australian Aboriginal and Caucasian ethnic groups, and to clarify the role of genetic factors by examining a sample of twins.The study sample consisted of dental casts of 181 pairs of Australian Caucasian twins, 215 Aborigines and 122 Caucasian singletons, together with 253 extracted deciduous canines. Examination of dental casts and extracted teeth was undertaken under 2X magnification with emphasis being placed upon location and expression of the lesion.The defect was observed in 49 per cent of twins and 44 per cent of Aborigines, but only 36 per cent of singletons. The percentages of affected teeth in each group were: 18 per cent in twins, 17 per cent in Aborigines and 13 per cent in Caucasians. A significant proportion of the defects occurred on the mesial aspect of the labial surface, in the middle area incisocervically, with the majority in the lower jaw. Anumber of significant differences in frequency were observed between groups, sexes, arches and sides.The results confirm some of the findings of previous studies, but also suggest that none of environmental, genetic or systemic factors can be ruled out as being involved in aetiology of the defect. The higher incidence of the lesion occurring on the mesial aspect of the labial surface is suggestive of physical trauma. Also, the vulnerability of the prominent developing mandibular canine, with its thin or missing labial covering of bone, would be expected to lead to higher prevalence of the lesion in the lower jaw. Although not definitive, the results of concordance analyses in twins were suggestive of a possible genetic predisposition in the formation of the lesion. Further research with a greater clinical orientation and emphasis on determing specific aetiological factors within any given environment in different ethnic groups may provide better insight into the ambiguous aetiology of the hypoplastic enamel defect.

  DOI：

  10.1111/j.1834-7819.2000.tb00246.x

文献信息

• Prill; Synerholm; Hartzell, Contributions from Boyce Thompson Institute, 1946, vol. 14, p. 341,343, 344
  作者：Prill、Synerholm、Hartzell

  DOI：——

  日期：——
• New parliament, new politics in Scotland
  作者：J Mitchell

  DOI：10.1093/pa/53.3.605

  日期：2000.7.1
• US2484057
  申请人：——

  公开号：——

  公开（公告）日：——
• Localised enamel hypoplasia of human deciduous canines: genotype or environment?
  作者：Sue Taji、Toby Hughes、Jim Rogers、Grant Townsend

  DOI：10.1111/j.1834-7819.2000.tb00246.x

  日期：2000.6

  AbstractA discrete area of defective enamel formation that appears on the labial surface of the crowns of deciduous canine teeth has been described in both recent and prehistoric human population, with reported frequencies varying from 1 to 45 per cent. Suggestions about the aetiology of this localized hypoplasia range from genotypic factors to environmental conditions and systemic effects. The major aims of this study were to describe the frequency of occurrence and pattern of expression of the lesion in Australian Aboriginal and Caucasian ethnic groups, and to clarify the role of genetic factors by examining a sample of twins.The study sample consisted of dental casts of 181 pairs of Australian Caucasian twins, 215 Aborigines and 122 Caucasian singletons, together with 253 extracted deciduous canines. Examination of dental casts and extracted teeth was undertaken under 2X magnification with emphasis being placed upon location and expression of the lesion.The defect was observed in 49 per cent of twins and 44 per cent of Aborigines, but only 36 per cent of singletons. The percentages of affected teeth in each group were: 18 per cent in twins, 17 per cent in Aborigines and 13 per cent in Caucasians. A significant proportion of the defects occurred on the mesial aspect of the labial surface, in the middle area incisocervically, with the majority in the lower jaw. Anumber of significant differences in frequency were observed between groups, sexes, arches and sides.The results confirm some of the findings of previous studies, but also suggest that none of environmental, genetic or systemic factors can be ruled out as being involved in aetiology of the defect. The higher incidence of the lesion occurring on the mesial aspect of the labial surface is suggestive of physical trauma. Also, the vulnerability of the prominent developing mandibular canine, with its thin or missing labial covering of bone, would be expected to lead to higher prevalence of the lesion in the lower jaw. Although not definitive, the results of concordance analyses in twins were suggestive of a possible genetic predisposition in the formation of the lesion. Further research with a greater clinical orientation and emphasis on determing specific aetiological factors within any given environment in different ethnic groups may provide better insight into the ambiguous aetiology of the hypoplastic enamel defect.
• Kinetic study of base-promoted elimination reactions of some 1,1,1-trihalo-2,2-bis(dimethoxyphenyl)ethanes in alcoholic solutions
  作者：Gianfranco Fontana、Vincenzo Frenna、Michelangelo Gruttadauria、Maria Concetta Natoli、Renato Noto

  DOI：10.1002/(sici)1099-1395(199801)11:1<54::aid-poc972>3.0.co;2-d

  日期：1998.1

  The base-promoted elimination reactions of 1,1,1-trichloro-2,2-bis(dimethoxyphenyl) ethanes were investigated. The bis(3,4-dimethoxyphenyl)ethane was found to be more reactive than the bis(2,5-dimethoxyphenyl)ethane and the latter more reactive than the bis(2,4-dimethoxyphenyl)ethane. Kinetic data relative to 1,1,1-trihalo(chloro or bromo)-2,2-bis(3,4-dimethoxyphenyl)ethanes show that the tribromo reacts faster than trichloro derivative and that the reactions are general-base promoted with Bronsted beta values of about 0.6. A kinetic isotope effect, with k(H)/k(D) ratio ranging from 3.5 to 5.7, for the base-promoted elimination reaction of 1,1,1-trichloro-2,2-bis(3,4-dimethoxyphenyl)ethane was found. Tunneling occurs for methoxide and ethoxide ion-promoted eliminations. Activation parameters for alkoxy-promoted elimination show a similar trend for chloride and bromide derivatives. The data collected seem to confirm that there is contiguity between E1cB(irr) and E2 mechanisms. (C) 1998 John Wiley & Sons, Ltd.