1-[2,2-二氯-1-(4-甲氧基苯基)环丙基]-4-甲氧基苯 | 22125-33-3

• 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: 1-[2,2-二氯-1-(4-甲氧基苯基)环丙基]-4-甲氧基苯
• 英文名称: 1-(p-methoxyphenyl)-1-(p-methoxyphenyl)-2,2-dichlorocyclopropane
• 英文别名: 1,1-dichloro-2,2-bis(p-methoxyphenyl)cyclopropane；1,1-dichloro-2,2-Bis-(p-methoxyphenyl)-cyclopropane；1,1-dichloro-2,2-Bis-[(4-methoxy) phenyl]cyclopropane；1,1-dichloro-2,2-Bis-(p-methoxyphenyl) cyclopropane；1,1-dichloro-2,2-Bis-(p-methoxyphenyl)cyclopropane；1-[2,2-dichloro-1-(4-methoxyphenyl)cyclopropyl]-4-methoxybenzene
• CAS: 22125-33-3
• 化学式: C₁₇H₁₆Cl₂O₂
• 分子量: 323.219
• InChiKey: MBWGURPVLDNNAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[2,2-二氯-1-(4-甲氧基苯基)环丙基]-4-甲氧基苯 在 sodium 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 24.0h， 生成 1,1-bis(4-methoxyphenyl)propene
  参考文献：
  名称：

  Arylcyclopropane photochemistry. Effects of electron-donating and electron-withdrawing aromatic substituents on the photochemical rearrangements of 1,1-diarylcyclopropanes

  摘要：

  DOI：

  10.1021/jo00247a008
• 作为产物：
  描述：

  1,1-二(对茴香基)乙烯 以 氯仿 、 potassium tert-butylate 、 甲基环己烷 为溶剂， 生成 1-[2,2-二氯-1-(4-甲氧基苯基)环丙基]-4-甲氧基苯
  参考文献：
  名称：

  Substituted cyclopropanes

  摘要：

  1,1-二(p-取代苯基)-2,2-二氯环丙烷，其中苯基取代物为烷基或烷氧基，作为新型杀虫剂。

  公开号：

  US03962356A1

文献信息

• Gem-dichlorocyclopropanes as antitumor agents
  申请人：Research Corporation Technologies, Inc.

  公开号：US05397802A1

  公开（公告）日：1995-03-14

  Gem-Dichlorocyclopropanes (Analog II derivatives) which demonstrate antiproliferative activity toward MCF-7 cells, in vitro and are generally not reversed by estradiol or having intrinsic estrogenicity (except the hydroxyphenyl derivative Compound 30). In general the cyclopropane compounds have the formula: ##STR1## or any pharmaceutically acceptable salt thereof. X is selected from a group consisting of hydrogen and halogen atoms. The group R.sub.1 may be a hydrogen atom, an alkyl group, an acyl group, or an arylalkyl group. The group R.sub.2 may be a hydrogen atom, an unsubstituted aryl group or a substituted aryl group. The group R.sub.3 may be a hydrogen atom, an alkyl group, a cycloalkyl group, a substituted aryl group or an unsubstituted aryl group. The group R.sub.4 may be a hydrogen atom, an unsubstituted aryl group or a substituted aryl group. The R.sub.4 is absent when R.sub.3 is a cycloalkyl group having a first position carbon and a terminal position carbon bonded to the same carbon of the cyclopropane. Further, no more than any two of R.sub.2, R.sub.3 and R.sub.4 has an aryl group.

  Gem-Dichlorocyclopropanes（类比物II衍生物）在体外对MCF-7细胞表现出抗增殖活性，通常不会被雌二醇逆转或具有内在的雌激素作用（除羟基苯基衍生物化合物30外）。一般来说，环丙烷化合物的化学式为：##STR1##或其任何药学上可接受的盐。X选择自氢原子和卤素原子组成的一组。R.sub.1基团可以是氢原子，烷基，酰基或芳基烷基。R.sub.2基团可以是氢原子，未取代芳基或取代芳基。R.sub.3基团可以是氢原子，烷基，环烷基，取代芳基或未取代芳基。当R.sub.3是具有第一位置碳和终端位置碳与环丙烷的同一碳键合的环烷基时，R.sub.4缺失。此外，R.sub.2，R.sub.3和R.sub.4中最多有两个基团为芳基。
• Diphenylcyclopropyl analogs
  申请人：Research Corporation Technologies

  公开号：US05658927A1

  公开（公告）日：1997-08-19

  Diphenylcyclopropyl analogs in which one or more of the phenyl rings includes alkoxy substituents including a dialkylaminoalkoxy group, an unsubstituted piperazine alkoxy group, a substituted piperazine alkoxy group, an unsubstituted piperidine alkoxy group, and a substituted piperidine alkoxy group, and which may have one or two alkyl groups bonded to the cyclopropane. The compounds are useful as antiestrogens and anti-tumor agents.

  二苯基环丙基类似物中，其中一个或多个苯环包括烷氧基取代基，包括二烷基氨基烷氧基、未取代哌嗪烷氧基、取代哌嗪烷氧基、未取代哌啶烷氧基和取代哌啶烷氧基，并且可以具有一个或两个烷基与环丙烷键合。这些化合物可用作抗雌激素和抗肿瘤剂。
• Cyclopropyl analogs as anti-estrogenic, anti-tumor and female fertility
  申请人：The Board of Regents for the University of Oklahoma

  公开号：US04879315A1

  公开（公告）日：1989-11-07

  Anti-estrogenic cyclopropyl analogs such as 1,1-dichlorocis-2,3-diphenylcyclopropane, when administered to a subject function as anti-tumor agents to prevent the development of estrogen-dependent tumors in the subject and substantially arrest the growth and metastatic involvement of existing estrogen-dependent tumors in the subject. Further, the anti-estrogenic cyclopropyl analogs may be used as anti-estrogenic agents and as fertility agents in the treatment of female infertility. The cyclopropyl analogs useful as anti-tumor, anti-estrogenic and female fertility agents have the general structure ##STR1## wherein: X is a halogen or hydrogen atom; R.sub.1 is a hydrogen atom, an alkyl group containing from 1 to about 3 carbon atoms, a monocyclic group, a hydroxy substituted monocyclic group, an alkoxy substituted monocyclic group in which the alkyl substituent contains from 1 to about 3 carbon atoms or an acetoxy substituted monocyclic group; R.sub.2 is a hydrogen atom, an acetate group, a hydroxyl group, an alkoxy group in which the alkyl substituent contains from 1 to about 3 carbon atoms, a beta-dialkylaminoethoxy group wherein the alkyl substituent contains from 1 to about 6 carbon atoms, a beta-monoaminoheterocycloethoxy group, or pharmaceutically acceptable salts thereof; R.sub.3 is a hydrogen atom, an acetate group, a hydroxyl group, or an alkoxy group in which the alkyl substituent contains from 1 to about 3 carbon atoms; R.sub.4 is a hydrogen atom, or an alkyl group containing from 1 to about 3 carbon atoms; and the wavy lines ( ) in the structure indicate that the anti-tumor agent can be the cis- or trans-isomers.

  抗雌激素环丙基类似物，如1,1-二氯顺式-2,3-二苯基环丙烷，在给予受试者时作为抗肿瘤剂，以防止受试者发展雌激素依赖性肿瘤，并且在受试者中显著阻止现有雌激素依赖性肿瘤的生长和转移。此外，抗雌激素环丙基类似物可用作抗雌激素剂和用于治疗女性不孕症的生育剂。作为抗肿瘤、抗雌激素和女性生育剂的环丙基类似物具有一般结构##STR1##其中：X是卤素或氢原子；R.sub.1是氢原子、含有1到约3个碳原子的烷基、单环基、氢氧基取代的单环基、烷氧基取代的单环基，其中烷基取代基含有1到约3个碳原子或乙酰氧基取代的单环基；R.sub.2是氢原子、乙酸酯基、羟基、烷氧基，其中烷基取代基含有1到约3个碳原子、β-二烷基氨基乙氧基基，其中烷基取代基含有1到约6个碳原子、β-单胺杂环基乙氧基基，或其药学上可接受的盐；R.sub.3是氢原子、乙酸酯基、羟基或烷氧基，其中烷基取代基含有1到约3个碳原子；R.sub.4是氢原子或含有1到约3个碳原子的烷基；结构中的波浪线()表示抗肿瘤剂可以是顺式或反式异构体。
• HIXSON, STEPHEN S.;FRANKE, LOTHAR A., J. ORG. CHEM., 53,(1988) N 12, 2706-2711
  作者：HIXSON, STEPHEN S.、FRANKE, LOTHAR A.

  DOI：——

  日期：——
• US3962356A
  申请人：——

  公开号：US3962356A

  公开（公告）日：1976-06-08