1,1-Dichloro-cis-2-(p-methoxyphenyl)-3-phenylcyclopropane

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,1-Dichloro-cis-2-(p-methoxyphenyl)-3-phenylcyclopropane
• 英文别名: 1-(2,2-Dichloro-3-phenylcyclopropyl)-4-methoxybenzene
• 化学式: C₁₆H₁₄Cl₂O
• 分子量: 293.193
• InChiKey: CFUKWVDYCDEQEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  triethyl-benzyl ammonium chloride 、 1-甲氧基-4-((E)-苯乙烯基)-苯 在 sodium hydroxide 作用下， 以 乙醇 、 氯仿 、 Petroleum ether 为溶剂， 生成 1,1-Dichloro-cis-2-(p-methoxyphenyl)-3-phenylcyclopropane
  参考文献：
  名称：

  Cyclopropyl analogs as anti-estrogenic, anti-tumor and female fertility

  摘要：

  抗雌激素环丙基类似物，如1,1-二氯顺-2,3-二苯基环丙烷，当用于患者时，可作为抗肿瘤剂，预防患者发生雌激素依赖性肿瘤，并且显著抑制患者现有的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女性不孕症治疗中的生育剂。作为抗肿瘤、抗雌激素和女性生育剂有用的环丙基类似物具有以下通用结构：##STR1##其中：X是卤素或氢原子；R.sub.1是氢原子、含有1至约3个碳原子的烷基、单环基、羟基取代的单环基、烷氧基取代的单环基，其中烷基取代物含有1至约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，其中烷基取代物含有1至约3个碳原子、β-二烷基氨基乙氧基，其中烷基取代物含有1至约6个碳原子、β-单氨基杂环环丙氧基，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，其中烷基取代物含有1至约3个碳原子；R.sub.4是氢原子或含有1至约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异构体或反式异构体。

  公开号：

  US04879315A1

文献信息

• 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-2,3-二苯基环丙烷，当用于患者时，可作为抗肿瘤剂，预防患者发生雌激素依赖性肿瘤，并且显著抑制患者现有的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女性不孕症治疗中的生育剂。作为抗肿瘤、抗雌激素和女性生育剂有用的环丙基类似物具有以下通用结构：##STR1##其中：X是卤素或氢原子；R.sub.1是氢原子、含有1至约3个碳原子的烷基、单环基、羟基取代的单环基、烷氧基取代的单环基，其中烷基取代物含有1至约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，其中烷基取代物含有1至约3个碳原子、β-二烷基氨基乙氧基，其中烷基取代物含有1至约6个碳原子、β-单氨基杂环环丙氧基，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，其中烷基取代物含有1至约3个碳原子；R.sub.4是氢原子或含有1至约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异构体或反式异构体。
• Etylene derivatives and pesticides containing said derivatives
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US20030216394A1

  公开（公告）日：2003-11-20

  Ethylene derivatives of formula (I): 1 where Q is an unsubstituted or substituted phenyl or heterocyclic group, especially a 4-thiazolyl, 1- or 3-pyrazolyl, 1,3-oxazol-4-yl, phenyl or pyridyl group; E is a substituent such as a cyano group; A is a substituent such as a 4-pyrazolyl or thiazolyl group; and B is a substituent such as an alkylcarbonyl group. Agricultural chemicals and agents for preventing the attachment of aquatic organisms containing one or more such ethylene derivatives.

  公式（I）的乙烯衍生物：1其中Q是未取代或取代的苯基或杂环基团，特别是4-噻唑基，1-或3-吡唑基，1,3-噁唑-4-基，苯基或吡啶基；E是如氰基等的取代基；A是如4-吡唑基或噻唑基等的取代基；B是如烷基羰基基团等的取代基。含有一个或多个这样的乙烯衍生物的农药化学品和防止水生生物附着的制剂。
• Ethylene derivatives and pesticides containing said derivatives
  申请人：Ogura Tomoyuki

  公开号：US20070049495A1

  公开（公告）日：2007-03-01

  Ethylene derivatives of formula (I): where Q is an unsubstituted or substituted phenyl or heterocyclic group, especially a 4-thiazolyl, 1- or 3-pyrazolyl, 1,3-oxazol-4-yl, phenyl or pyridyl group; E is a substituent such as a cyano group; A is a substituent such as a 4-pyrazolyl or thiazolyl group; and B is a substituent such as an alkylcarbonyl group. Agricultural chemicals and agents for preventing the attachment of aquatic organisms containing one or more such ethylene derivatives.

  公式（I）的乙烯衍生物： 其中Q是未取代或取代的苯基或杂环基团，特别是4-噻唑基，1-或3-吡唑基，1,3-噁唑-4-基，苯基或吡啶基；E是氰基等取代基；A是4-吡唑基或噻唑基等取代基；B是烷基羰基等取代基。含有一种或多种这种乙烯衍生物的农业化学品和防止水生生物附着的剂。
• ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS
  申请人：NISSAN CHEMICAL INDUSTRIES, LIMITED

  公开号：EP0913392A1

  公开（公告）日：1999-05-06

  Ethylene derivatives of formula (I): where Q is an unsubstituted or substituted phenyl or heterocyclic group, especially a 4-thiazolyl, 1- or 3-pyrazolyl, 1,3-oxazol-4-yl, phenyl or pyridyl group; E is a substituent such as a cyano group; A is a substituent such as a 4-pyrazolyl or thiazolyl group; and B is a substituent such as an alkylcarbonyl group. Agricultural chemicals and agents for preventing the attachment of aquatic organisms containing one or more such ethylene derivatives.

  式(I)的乙烯衍生物： 其中 Q 是未取代或取代的苯基或杂环基团，特别是 4-噻唑基、1-或 3-吡唑基、1,3-恶唑-4-基、苯基或吡啶基；E 是取代基，如氰基；A 是取代基，如 4-吡唑基或噻唑基；B 是取代基，如烷基羰基。含有一种或多种此类乙烯衍生物的农用化学品和防止水生生物附着的制剂。
• ACRYLONITRILE COMPOUNDS
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1142882A1

  公开（公告）日：2001-10-10

  The present invention relates to acrylonitrile compounds of formula (1): [wherein, R is a C1-C6 alkyl, a C3-C7 cycloalkyl optionally substituted by a C1-C4 alkyl, a naphthyl, etc., R1 is H, a halogen, a C1-C6 alkyl, etc., A is specific 5-membered aromatic heterocyclic ring containing two hetero atoms selected from N, O and S, etc., B is H, a C1-C4 alkyl, a C2-C4 alkoxyalkyl, etc.] Said compounds are useful as agricultural chemicals, in particular insecticides and acaricides.

  本发明涉及式（1）的丙烯腈化合物： [其中，R 是 C1-C6 烷基、任选被 C1-C4 烷基取代的 C3-C7 环烷基、萘基等，R1 是 H、卤素、C1-C6 烷基等，A 是特定的 5 元芳香杂环，含有选自 N、O 和 S 的两个杂原子等，B 是 H、C1-C4 烷基、C2-C4 烷氧基烷基等。］ 上述化合物可用作农用化学品，特别是杀虫剂和杀螨剂。