dl-3-Hydroxy-2-aethyl-3-<4-benzyloxy-phenyl>-valeriansaeureaethylester | 96587-41-6

• 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: dl-3-Hydroxy-2-aethyl-3-<4-benzyloxy-phenyl>-valeriansaeureaethylester
• 英文别名: ethyl 3-(p-benzyloxyphenyl)-2-ethyl-3-hydroxypentanoate；Ethyl 2-ethyl-3-hydroxy-3-(4-phenylmethoxyphenyl)pentanoate
• CAS: 96587-41-6
• 化学式: C₂₂H₂₈O₄
• 分子量: 356.462
• InChiKey: JQFZZLSHATZIES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dl-3-Hydroxy-2-aethyl-3-<4-benzyloxy-phenyl>-valeriansaeureaethylester 生成 2-Aethyl-3-<4-benzyloxy-phenyl>-pent-3-ensaeure
  参考文献：
  名称：

  Barbieux,M.; Martin,R.H., Bulletin des Societes Chimiques Belges, 1964, vol. 73, p. 703 - 715

  摘要：

  DOI：
• 作为产物：
  描述：

  4‘-苄氧基苯丙酮 、 2-溴丁酸乙酯 在 锌 作用下， 以 乙醚 、 苯 为溶剂， 生成 dl-3-Hydroxy-2-aethyl-3-<4-benzyloxy-phenyl>-valeriansaeureaethylester
  参考文献：
  名称：

  Barbieux,M.; Martin,R.H., Bulletin des Societes Chimiques Belges, 1964, vol. 73, p. 703 - 715

  摘要：

  DOI：

文献信息

• Alkane and alkene derivatives and their use
  申请人：Farmos Group Ltd.

  公开号：US04556677A1

  公开（公告）日：1985-12-03

  The invention provides novel compounds of the formula ##STR1## wherein R.sub.1 is hydrogen, hydroxy, alkoxy of 1 to 4 carbon atoms, benzyloxy, allyloxy, 2,3-epoxypropoxy, methoxymethoxy, ethoxymethoxy, or 2,3-dihydroxypropoxy or ##STR2## wherein one of R.sub.5 and R.sub.6 is hydrogen or R.sub.5 and R.sub.6 are alkyl groups of 1-4 carbon atoms which may be the same or different, or the --NR.sub.5 R.sub.6 group stands for a nitrogen containing 5 to 7 membered heterocyclic radical and m is 1 or 2; R.sub.2 is an alkyl of 1 to 4 carbon atoms or ##STR3## wherein R.sub.7 has the same meanings as R.sub.1 except that R.sub.7 and R.sub.1 cannot simultaneously be the same; R.sub.3 is an alkyl of 2 to 4 carbon atoms, cyclopentyl or hydroxy-cyclopentyl; R.sub.4 is hydrogen or hydroxy; and n is 0 to 3, provided that when R.sub.4 is hydrogen, then R.sub.2 and R.sub.3 are not simultaneously lower alkyl containing up to 4 carbon atoms, and their non-toxic pharmaceutically acceptable acid addition salts and esters and mixtures thereof. Processes for the preparation of these compounds are described, as are novel pharmaceutical compositions of the compounds or their salts. The compounds and their non-toxic salts exhibit valuable pharmacological properties as estrogenic, anti-estrogenic, progestanic and anti-tumor activity. Certain compounds of the group are useful as chemical intermediates for the preparation of pharmaceutically active compounds of the invention.

  该发明提供了一种新型化合物，其化学式为##STR1##其中R.sub.1是氢、羟基、1至4个碳原子的烷氧基、苄氧基、烯丙氧基、2,3-环氧丙氧基、甲氧基甲氧基、乙氧基甲氧基、或2,3-二羟基丙氧基或##STR2##其中R.sub.5和R.sub.6中的一个是氢或R.sub.5和R.sub.6是1-4个碳原子的烷基基团，可以相同也可以不同，或--NR.sub.5 R.sub.6基团代表含氮的5至7成员杂环基团，m为1或2；R.sub.2是1至4个碳原子的烷基或##STR3##其中R.sub.7具有与R.sub.1相同的含义，但R.sub.7和R.sub.1不能同时相同；R.sub.3是2至4个碳原子的烷基、环戊基或羟基环戊基；R.sub.4是氢或羟基；n为0至3，但当R.sub.4为氢时，R.sub.2和R.sub.3不能同时是含有最多4个碳原子的低烷基，其非毒性药学可接受的酸盐和酯以及它们的混合物。描述了这些化合物的制备过程，以及这些化合物或它们的盐的新型药物组合物。这些化合物及其非毒性盐具有有价值的药理特性，如雌激素、抗雌激素、孕激素和抗肿瘤活性。该组中的某些化合物可用作该发明的药物活性化合物的化学中间体的制备。
• Novel alkane and alkene derivatives and their preparation and use
  申请人：Farmos Group Ltd.

  公开号：EP0078158A2

  公开（公告）日：1983-05-04

  The invention provides novel compounds of the formula or wherein R1 is hydrogen, hydroxy, alkoxy of 1 to 4 carbon atoms, benzyloxy, allyloxy, 2,3-epoxypropoxy, 2,3-dihydroxypropoxy, methoxymethoxy, ethoxymethoxy, or wherein one of R5 and R6 is hydrogen or R5 and R6 are alkyl groups of 1-4 carbon atoms which may be the same or different, or the -NR5R6 group stands for a nitrogen containing 5 to 7 membered heterocyclic radial and m is 1 or 2; R2 is an alkyl of 1 to 4 carbon atoms wherein R7 has the same meanings as R1, except that R7 and R, cannot simultaneously be the same; R3 is an alkyl of 2 to 4 carbon atoms, cyclopentyl or hydroxy-cyclopentyl; R4 is hydrogen or hydroxy; and n is 0 to 3, provided that when R4 is hydrogen, then R2 and R3 are not simultaneously lower alkyl containing up to 4 carbon atoms, and their non-toxic pharmaceutically acceptable acid addition salts and esters and mixtures thereof. Processes for the preparation of these compounds are described, as are novel pharmaceutical compositions of the compounds or their salts. The compounds and their non-toxic salts exhibit valuable pharmacological properties as estrogenic, anti-estrogenic, progestanic and anti-tumour activity. Certain compounds of the group are useful as chemical intermediates for the preparation of pharmaceutically active compounds of the invention.

  本发明提供了如下式子的新型化合物 或 其中 R1 是氢、羟基、1-4 个碳原子的烷氧基、苄氧基、烯丙基氧基、2,3-环氧丙氧基、2,3-二羟基丙氧基、甲氧基甲氧基、乙氧基甲氧基，或 其中 R5 和 R6 之一为氢，或 R5 和 R6 为 1-4 个碳原子的烷基，可以相同或不同，或 -NR5R6 基团代表含氮的 5-7 位杂环径向基团，且 m 为 1 或 2；R2 为 1-4 个碳原子的烷基 其中R7的含义与R1相同，但R7和R，不能同时相同；R3是2至4个碳原子的烷基、环戊基或羟基环戊基；R4是氢或羟基；n是0至3，但当R4是氢时，则R2和R3不能同时是含最多4个碳原子的低级烷基，以及它们的无毒药学上可接受的酸加成盐和酯及其混合物。本文介绍了这些化合物的制备方法，以及这些化合物或其盐的新型药物组合物。这些化合物及其无毒盐具有宝贵的药理特性，如雌激素活性、抗雌激素活性、孕激素活性和抗肿瘤活性。该组化合物中的某些化合物可用作制备本发明具有药用活性的化合物的化学中间体。
• US4556677A
  申请人：——

  公开号：US4556677A

  公开（公告）日：1985-12-03
• Barbieux,M.; Martin,R.H., Bulletin des Societes Chimiques Belges, 1964, vol. 73, p. 703 - 715
  作者：Barbieux,M.、Martin,R.H.

  DOI：——

  日期：——