1,1,1-trichloro-2,2-bis(3,4-dimethoxyphenyl)ethane | 205992-49-0

• 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(3,4-dimethoxyphenyl)ethane
• 英文别名: 1,1,1-trichloro-2,2-bis-(3,4-dimethoxy-phenyl)-ethane；1,1,1-Trichlor-2,2-bis-(3,4-dimethoxy-phenyl)-aethan；β.β.β-Trichlor-α.α-bis-(3.4-dimethoxy-phenyl)-aethan；β.β.β-Trichlor-aethyliden-diveratrol；Ethane, 1,1,1-trichloro-2,2-bis(3,4-dimethoxyphenyl)-；1,2-dimethoxy-4-[2,2,2-trichloro-1-(3,4-dimethoxyphenyl)ethyl]benzene
• CAS: 205992-49-0
• 化学式: C₁₈H₁₉Cl₃O₄
• 分子量: 405.705
• InChiKey: JKLYVAJMDJZQTN-UHFFFAOYSA-N

物化性质

• 熔点：
  114 °C
• 沸点：
  480.4±45.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

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(3,4-dimethoxyphenyl)ethane 在 硫酸 、 溶剂黄146 作用下， 生成 9,10-bis-dichloromethylene-2,3,6,7-tetramethoxy-9,10-dihydro-anthracene
  参考文献：
  名称：

  Arcoleo; Oliverio, Annali di Chimica, 1957, vol. 47, p. 415,416

  摘要：

  DOI：
• 作为产物：
  描述：

  邻苯二甲醚 、 水合氯醛 在 硫酸 、 溶剂黄146 作用下， 生成 1,1,1-trichloro-2,2-bis(3,4-dimethoxyphenyl)ethane
  参考文献：
  名称：

  Feuerstein, Chemische Berichte, 1901, vol. 34, p. 414

  摘要：

  DOI：

文献信息

• 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.
• Cycloaddition of Functionalized Nitrile Oxides and Fulminic Acid to [60]Fullerene
  作者：Hermann Irngartinger、Anton Weber、Thomas Escher

  DOI：10.1002/jlac.199619961118

  日期：1996.11

  Cycloaddition of nitrile oxides to [60]fullerene led to [60]fullereno[1,2-d]isoxazole derivatives 1b–d. [60]Fullereno[1,2-d]isoxazole (1a) is the corresponding cycloadduct with fulminic acid. X-ray structure analyses of compound 1b and 1e were determined.

  腈氧化物与[60]富勒烯的环加成反应会生成[60]富勒烯[1,2- d ]异恶唑衍生物1b-d。[60]富勒烯[1,2- d ]异恶唑（1a）是与次黄酸相应的环加合物。测定了化合物1b和1e的X射线结构分析。
• 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.
• Prill; Synerholm; Hartzell, Contributions from Boyce Thompson Institute, 1946, vol. 14, p. 341,343, 344
  作者：Prill、Synerholm、Hartzell

  DOI：——

  日期：——
• 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.