3-ethyl-3-benzyl-6-carbethoxyethyl-8-hydroxy-1-tetralone | 86649-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 3-ethyl-3-benzyl-6-carbethoxyethyl-8-hydroxy-1-tetralone
• 英文别名: ethyl 3-(7-benzyl-7-ethyl-4-hydroxy-5-oxo-6,8-dihydronaphthalen-2-yl)propanoate
• CAS: 86649-81-2
• 化学式: C₂₄H₂₈O₄
• 分子量: 380.484
• InChiKey: HNDJOYYPCHPVBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-ethyl-3-benzyl-6-formyl-8-benzyloxy-1-tetralone 、 溴乙酸乙酯 生成 3-ethyl-3-benzyl-6-carbethoxyethyl-8-hydroxy-1-tetralone
  参考文献：
  名称：

  1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor

  摘要：

  式为##STR1##的化合物，其中R.sub.1为氢、苄基、苯甲酰、含有1至5个碳原子的烷酰基或--CO--(CH.sub.2).sub.p--NR'R"，其中p为0或1至4的整数；当单独取R'和R"时，R'和R"分别为氢或含有1至4个碳原子的烷基；当R'和R"与它们连接的氮一起形成选择自哌啶基、吡咯基、吡咯烷基、吗啉基和N-烷基哌嗪基的5-或6元杂环环的时候，R'和R"为氢、含有1至4个碳原子的烷基或苄基；R.sub.2选择自氢、含有1至6个碳原子的烷酰基和苯甲酰基；R.sub.3选择自氢、甲基和乙基；R.sub.4选择自氢、含有1至6个碳原子的烷基和苄基；Z选择自：(a)含有1至9个碳原子的烷基；(b)--(alk.sub.1).sub.m--X--(alk.sub.2).sub.n--，其中(alk.sub.1)和(alk.sub.2)分别为含有1至9个碳原子的烷基，但要求(alk.sub.1)加上(alk.sub.2)的碳原子总和不大于9；m和n各自为0或1；X选择自O、S、SO和SO.sub.2；W选择自氢、甲基、吡啶基、哌啶基、苯基、单氯苯基、单氟苯基和##STR2##，其中W.sub.1选择自氢、苯基、单氯苯基和单氟苯基；a为1至5的整数，b为0或1至4的整数，但要求a和b的总和不大于5。化合物I和II可用作止痛药。化合物III可用作制备化合物I和II的中间体。公开了制备I、II和III的中间体。还描述了利用化合物I和II产生止痛作用的方法。

  公开号：

  US04188495A1

文献信息

• 1,9-Dihydroxyoctahydrophenanthrenes
  申请人：Pfizer Inc.

  公开号：US04237133A1

  公开（公告）日：1980-12-02

  Compounds of the formula ##STR1## wherein R.sub.1 is hydrogen, benzyl, benzoyl, alkanoyl of 1 to 5 carbon atoms or --CO--(CH.sub.2).sub.p --NR'R" wherein p is 0 or an integer from 1 to 4; each of R' and R" when taken individually is hydrogen or alkyl of 1 to 4 carbon atoms; R' and R" when taken together with the nitrogen to which they are attached form a 5- or 6-membered heterocyclic ring selected from piperidino, pyrollo, pyrrolidino, morpholino and N-alkylpiperazino having from 1 to 4 carbon atoms in the alkyl group; R.sub.2 is selected from hydrogen, alkanoyl of 1 to 6 carbon atoms and benzoyl; R.sub.3 is selected from hydrogen, methyl and ethyl; R.sub.4 is selected from hydrogen, alkyl of 1 to 6 carbon atoms and benzyl; Z is selected from: (a) alkylene having from one to nine carbon atoms; (b) --(alk.sub.1).sub.m --X--(alk.sub.2).sub.n -- wherein each of (alk.sub.1) and (alk.sub.2)is alkylene having from 1 to 9 carbon atoms, with the proviso that the summation of carbon atoms in (alk.sub.1) plus (alk.sub.2) is not greater than 9; m and n are each 0 or 1; X is selected from O, S, SO and SO.sub.2 ; and W is selected from hydrogen, methyl, pyridyl, piperidyl, phenyl, monochlorophenyl, monofluorophenyl and ##STR2## wherein W.sub.1 is selected from hydrogen, phenyl, monochlorophenyl and monofluorophenyl; a is an integer from 1 to 5 and b is 0 or an integer from 1 to 4, with the proviso that the sum of a and b is not greater than 5. Compounds I and II are useful as analgesics. Compound III is useful as an intermediate for the preparation of Compounds I and II. Intermediates for the preparation of I, II and III are disclosed. A process for the use of compounds I and II to produce analgesia is also described.

  化合物的公式为##STR1##其中R.sub.1为氢，苄基，苯甲酰基，1至5个碳原子的脂肪酰基或--CO--(CH.sub.2).sub.p --NR'R"，其中p为0或1至4的整数；当R'和R"分别单独取时，它们是氢或1至4个碳原子的烷基；当R'和R"与它们结合的氮一起形成5-或6-成员的杂环环，所述杂环环被选择自哌啶，吡咯，吡咯烷，吗啉和N-烷基哌嗪，所述烷基中有1至4个碳原子；R.sub.2被选择自氢，1至6个碳原子的脂肪酰基和苯甲酰基；R.sub.3被选择自氢，甲基和乙基；R.sub.4被选择自氢，1至6个碳原子的烷基和苄基；Z被选择自：(a)有1至9个碳原子的烷基；(b)--(alk.sub.1).sub.m --X--(alk.sub.2).sub.n --其中(alk.sub.1)和(alk.sub.2)分别为有1至9个碳原子的烷基，但是(alk.sub.1)加上(alk.sub.2)的碳原子总和不大于9；m和n均为0或1；X被选择自O、S、SO和SO.sub.2；W被选择自氢，甲基，吡啶基，哌啶基，苯基，单氯苯基，单氟苯基和##STR2##其中W.sub.1被选择自氢，苯基，单氯苯基和单氟苯基；a为1至5的整数，b为0或1至4的整数，但是a和b的总和不大于5。化合物I和II有用作镇痛剂。化合物III有用作化合物I和II的中间体。公开了制备I、II和III的中间体。还描述了使用化合物I和II产生镇痛作用的过程。
• Intermediates to 1,9-dihydroxyoctahydrophenanthrenes
  申请人：Pfizer Inc.

  公开号：US04310668A1

  公开（公告）日：1982-01-12

  Compounds of the formula ##STR1## wherein R.sub.1 is hydrogen, benzyl, benzoyl, alkanoyl of 1 to 5 carbon atoms or --CO--(CH.sub.2).sub.p --NR'R" wherein p is 0 or an integer from 1 to 4; each of R' and R" when taken individually is hydrogen or alkyl of 1 to 4 carbon atoms; R' and R" when taken together with the nitrogen to which they are attached form a 5- or 6-membered heterocyclic ring selected from piperidino, pyrrolo, pyrrolidino, morpholino and N-alkylpiperazino having from 1 to 4 carbon atoms in the alkyl group; R.sub.2 is selected from hydrogen, alkanoyl of 1 to 6 carbon atoms and benzoyl; R.sub.3 is selected from hydrogen, methyl and ethyl; R.sub.4 is selected from hydrogen, alkyl of 1 to 6 carbon atoms and benzyl; Z is selected from: (a) alkylene having from one to nine carbon atoms; (b) --(alk.sub.1).sub.m --X--(alk.sub.2).sub.n -- wherein each of (alk.sub.1) and (alk.sub.2) is alkylene having from 1 to 9 carbon atoms, with the proviso that the summation of carbon atoms in (alk.sub.1) plus (alk.sub.2) is not greater than 9; m and n are each 0 or 1; X is selected from O, S, SO and SO.sub.2 ; and W is selected from hydrogen, methyl, pyridyl, piperidyl, phenyl, monochlorophenyl, monofluorophenyl and ##STR2## wherein W.sub.1 is selected from hydrogen, phenyl, monochlorophenyl and monofluorophenyl; a is an integer from 1 to 5 and b is 0 or an integer from 1 to 4, with the proviso that the sum of a and b is not greater than 5. Compounds I and II are useful as analgesics. Compound III is useful as an intermediate for the preparation of Compounds I and II. Intermediates for the preparation of I, II and III are disclosed. A process for the use of compounds I and II to produce analgesia is also described.

  化合物的公式为 ##STR1## 其中 R.sub.1 是氢，苄基，苯甲酰基，1至5个碳原子的脂肪酰基或--CO--(CH.sub.2).sub.p --NR'R"，其中p为0或1至4的整数; 当R'和R"分别为氢或1至4个碳原子的烷基时; 当R'和R"与它们所连接的氮一起形成选择自哌啶，吡咯，吡咯烷，吗啉和N-烷基哌嗪的5或6元杂环环；R.sub.2 选择自氢，1至6个碳原子的脂肪酰基和苯甲酰基；R.sub.3 选择自氢，甲基和乙基；R.sub.4 选择自氢，1至6个碳原子的烷基和苄基；Z选择自：(a) 1至9个碳原子的烷基；(b) --(alk.sub.1).sub.m --X--(alk.sub.2).sub.n --其中每个(alk.sub.1)和(alk.sub.2)是1至9个碳原子的烷基，但满足(alk.sub.1)加(alk.sub.2)的碳原子总数不大于9；m和n各自为0或1；X选择自O，S，SO和SO.sub.2；W选择自氢，甲基，吡啶基，哌啶基，苯基，单氯苯基，单氟苯基和 ##STR2## 其中W.sub.1选择自氢，苯基，单氯苯基和单氟苯基；a为1至5的整数，b为0或1至4的整数，但满足a和b的和不大于5。化合物I和II可用作镇痛剂。化合物III可用作制备化合物I和II的中间体。还公开了制备I，II和III的中间体。还描述了使用化合物I和II产生镇痛作用的过程。
• US4188495A
  申请人：——

  公开号：US4188495A

  公开（公告）日：1980-02-12
• US4237133A
  申请人：——

  公开号：US4237133A

  公开（公告）日：1980-12-02
• US4268523A
  申请人：——

  公开号：US4268523A

  公开（公告）日：1981-05-19