2-(4-benzyloxyphenyl)-2-(N,N-diethylamino)acetonitrile | 187989-17-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-benzyloxyphenyl)-2-(N,N-diethylamino)acetonitrile
• 英文别名: 2-(diethylamino)-2-(4-phenylmethoxyphenyl)acetonitrile
• CAS: 187989-17-9
• 化学式: C₁₉H₂₂N₂O
• 分子量: 294.396
• InChiKey: PAUQJXNFVNLNKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-benzyloxyphenyl)-2-(N,N-diethylamino)acetonitrile 、 4-甲氧基氯苄 以 盐酸 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以90 g (85%)的产率得到1-(4-Benzyloxyphenyl)-2-(4-methoxyphenyl)ethan-1-one
  参考文献：
  名称：

  Pyridine compounds, intermediates compositions and methods of use

  摘要：

  本发明涉及以下式I的化合物：其中：n为2或3；R为二甲基氨基，二乙基氨基，1-哌啶基，1-吡咯啉基，4-吗啉基，或1-己亚甲基氨基；R.sup.1为氢，C.sub.1-C.sub.4的低烷基，苯基，或单取代或双取代苯基，其中每个取代基独立地为卤素，甲基，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-烷酰氧基，苯甲酰氧基，取代苯甲酰氧基，带有1至3个取代基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基，或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基，或C.sub.4-C.sub.6-烷基磺酰氧基；R.sup.2为氢，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-烷酰氧基，苯甲酰氧基，取代苯甲酰氧基，带有1至3个取代基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基，或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基，或C.sub.4-C.sub.6-烷基磺酰氧基；以及药学上可接受的酸盐，用于治疗更年期后症状，如骨质疏松症，心血管疾病，如高脂血症等。

  公开号：

  US05672609A1
• 作为产物：
  描述：

  4-苄氧基苯甲醛 、 二乙胺盐酸盐 以 四氢呋喃 为溶剂， 以81.5 g (59%)的产率得到2-(4-benzyloxyphenyl)-2-(N,N-diethylamino)acetonitrile
  参考文献：
  名称：

  Pyridine compounds, intermediates compositions and methods of use

  摘要：

  本发明涉及以下式I的化合物：其中：n为2或3；R为二甲基氨基，二乙基氨基，1-哌啶基，1-吡咯啉基，4-吗啉基，或1-己亚甲基氨基；R.sup.1为氢，C.sub.1-C.sub.4的低烷基，苯基，或单取代或双取代苯基，其中每个取代基独立地为卤素，甲基，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-烷酰氧基，苯甲酰氧基，取代苯甲酰氧基，带有1至3个取代基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基，或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基，或C.sub.4-C.sub.6-烷基磺酰氧基；R.sup.2为氢，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-烷酰氧基，苯甲酰氧基，取代苯甲酰氧基，带有1至3个取代基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基，或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基，或C.sub.4-C.sub.6-烷基磺酰氧基；以及药学上可接受的酸盐，用于治疗更年期后症状，如骨质疏松症，心血管疾病，如高脂血症等。

  公开号：

  US05672609A1

文献信息

• Pyridine compounds intermediates processes compositions and methods
  申请人：Eli Lilly and Company

  公开号：US05750708A1

  公开（公告）日：1998-05-12

  The present invention is directed to compounds of Formula I: ##STR1## wherein: n is 2 or 3; R is dimethylamino, diethylamino, 1-piperidinyl, 1-pyrrolidinyl, 4-morpholinyl, or 1-hexamethyleneimino; R.sup.1 is hydrogen, loweralkyl of C.sub.1 -C.sub.4, phenyl, or mono or di-substituted phenyl wherein each substituent is independently halo, methyl, hydroxy, C.sub.1 -C.sub.6 -alkoxy, benzyloxy, C.sub.1 -C.sub.6 -alkanoyloxy, benzoyloxy, substituted benzoyloxy bearing 1 to 3 substituents each of which is independently halo, C.sub.1 -C.sub.4 -loweralkyl, or C.sub.1 -C.sub.4 -loweralkoxy, C.sub.1 -C.sub.5 -alkoxycarbonyloxy, or C.sub.4 -C.sub.6 -alkylsulfonyloxy; R.sup.2 is hydrogen, hydroxy, C.sub.1 -C.sub.6 -alkoxy, benzyloxy, C.sub.1 -C.sub.6 -alkanoyloxy, benzoyloxy, substituted benzoyloxy bearing 1 to 3 substituents each of which is independently halo, C.sub.1 -C.sub.4 -loweralkyl, or C.sub.1 -C.sub.4 -loweralkoxy, C.sub.1 -C.sub.5 -alkoxycarbonyloxy, or C.sub.4 -C.sub.6 -alkylsulfonyloxy; and the pharmaceutically acceptable acid addition salts, which are for the treatment of post menopausal symptoms such as osteoporosis, cardiovascular conditions such as hyperlipidaemia, and the like.

  本发明涉及式I的化合物：##STR1## 其中：n为2或3；R为二甲氨基，二乙氨基，1-哌啶基，1-吡咯基，4-吗啉基或1-己亚甲基亚胺基；R.sup.1为氢，C.sub.1-C.sub.4的低烷基，苯基或单取代或双取代苯基，其中每个取代基独立地为卤素，甲基，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-酰氧基，苯甲酰氧基，取代苯甲酰氧基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基或C.sub.4-C.sub.6-烷基磺酰氧基；R.sup.2为氢，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-酰氧基，苯甲酰氧基，取代苯甲酰氧基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基或C.sub.4-C.sub.6-烷基磺酰氧基；以及药学上可接受的酸盐，用于治疗绝经后症状，如骨质疏松症，心血管疾病，如高脂血症等。
• US5672609A
  申请人：——

  公开号：US5672609A

  公开（公告）日：1997-09-30
• US5750708A
  申请人：——

  公开号：US5750708A

  公开（公告）日：1998-05-12
• [EN] PYRIDINE COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS<br/>[FR] COMPOSES PYRIDINIQUES, INTERMEDIAIRES, PROCESSUS INDUSTRIELS, COMPOSITIONS ET PROCEDES
  申请人：ELI LILLY AND COMPANY

  公开号：WO1997004778A1

  公开（公告）日：1997-02-13

  (EN) The present invention is directed to compounds of formula (I) wherein n is 2 or 3; R is dimethylamino, diethylamino, 1-piperidinyl, 1-pyrrolidinyl, 4-morpholinyl, or 1-hexamethyleneimino; R1 is hydrogen, loweralkyl of C1-C4, phenyl, or mono- or di-substituted phenyl wherein each substituent is independently halo, methyl, hydroxy, C1-C6-alkoxy, benzyloxy, C1-C6-alkanoyloxy, benzoyloxy, substituted benzoyloxy bearing 1 to 3 substituents each of which is independently halo, C1-C4-loweralkyl, or C1-C4-loweralkoxy, C1-C5-alkoxycarbonyloxy or C4-C6-alkylsulfonyloxy; R2 is hydrogen, hydroxy, C1-C6-alkoxy, benzyloxy, C1-C6-alkanoyloxy, benzoyloxy, substituted benzoyloxy bearing 1 to 3 substituents each of which is independently halo, C1-C4-loweralkyl, or C1-C4-loweralkoxy, C1-C5-alkoxycarbonyloxy, or C4-C6-alkylsulfonyloxy; and the pharmaceutically acceptable acid addition salts, which are for the treatment of post menopausal symptoms such as osteoporosis, cardiovascular conditions such as hyperlipidaemia, and the like.(FR) Cette invention concerne des composés de Formule (I), ou n est 2 ou 3; R désigne un groupe diméthylamino, diéthylamino, pipéridinyle-1, pyrrolidinyle-1, morpholinyle-4, ou hexaméthylène-imino-1; R1 désigne l'hydrogène, un groupe alkyle inférieur C1-C4, phényle, ou phényle mono ou bi-substitué, dans lequel chaque substituant est indépendamment l'un de l'autre un halogène, un groupe méthyle, hydroxy, alcoxy C1-C6, benzyloxy, alcanoyloxy C1-C6 ou benzoyloxy, le benzoyloxy substitué portant 1 à 3 substituants dont chacun est indépendamment l'un de l'autre un halogène, un groupe alkyle inférieur C1-C4, alcoxy inférieur C1-C4, alcoxycarbonyloxy C1-C5 ou alkylsulfonyloxy C4-C6; R2 désigne l'hydrogène, un groupe hydroxy, alkoxy C1-C6, benzyloxy, alcanoyloxy C1-C6 ou benzoyloxy, le benzoyloxy portant 1 à 3 substituants dont chacun est indépendamment l'un de l'autre un halogène, un groupe alkyle inférieur C1-C4, alcoxy inférieur C1-C4, alcoxycarbonyloxy C1-C5, ou alkylsulfonyloxy C4-C6. L'invention concerne également des sels d'addition d'acides pharmaceutiquement acceptables destinés au traitement des symptômes post-ménopausiques tels qu'ostéoporose et troubles cardio-vasculaires (hyperlipidémie par exemple), etc.
• Pyridine compounds, intermediates compositions and methods of use
  申请人：Eli Lilly and Company

  公开号：US05672609A1

  公开（公告）日：1997-09-30

  The present invention is directed to compounds of Formula I: ##STR1## wherein: n is 2 or 3; R is dimethylamino, diethylamino, 1-piperidinyl, 1-pyrrolidinyl, 4-morpholinyl, or 1-hexamethyleneimino; R.sup.1 is hydrogen, loweralkyl of C.sub.1 -C.sub.4, phenyl, or mono or di-substituted phenyl wherein each substituent is independently halo, methyl, hydroxy, C.sub.1 -C.sub.6 -alkoxy, benzyloxy, C.sub.1 -C.sub.6 -alkanoyloxy, benzoyloxy, substituted benzoyloxy bearing 1 to 3 substituents each of which is independently halo, C.sub.1 -C.sub.4 -loweralkyl, or C.sub.1 -C.sub.4 -loweralkoxy, C.sub.1 -C.sub.5 -alkoxycarbonyloxy, or C.sub.4 -C.sub.6 -alkylsulfonyloxy; R.sup.2 is hydrogen, hydroxy, C.sub.1 -C.sub.6 -alkoxy, benzyloxy, C.sub.1 -C.sub.6 -alkanoyloxy, benzoyloxy, substituted benzoyloxy bearing 1 to 3 substituents each of which is independently halo, C.sub.1 -C.sub.4 -loweralkyl, or C.sub.1 -C.sub.4 -loweralkoxy, C.sub.1 -C.sub.5 -alkoxycarbonyloxy, or C.sub.4 -C.sub.6 -alkylsulfonyloxy; and the pharmaceutically acceptable acid addition salts, which are for the treatment of post menopausal symptoms such as osteoporosis, cardiovascular conditions such as hyperlipidaemia, and the like.

  本发明涉及以下式I的化合物：其中：n为2或3；R为二甲基氨基，二乙基氨基，1-哌啶基，1-吡咯啉基，4-吗啉基，或1-己亚甲基氨基；R.sup.1为氢，C.sub.1-C.sub.4的低烷基，苯基，或单取代或双取代苯基，其中每个取代基独立地为卤素，甲基，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-烷酰氧基，苯甲酰氧基，取代苯甲酰氧基，带有1至3个取代基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基，或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基，或C.sub.4-C.sub.6-烷基磺酰氧基；R.sup.2为氢，羟基，C.sub.1-C.sub.6-烷氧基，苄氧基，C.sub.1-C.sub.6-烷酰氧基，苯甲酰氧基，取代苯甲酰氧基，带有1至3个取代基，每个取代基独立地为卤素，C.sub.1-C.sub.4-低烷基，或C.sub.1-C.sub.4-低烷氧基，C.sub.1-C.sub.5-烷氧羰氧基，或C.sub.4-C.sub.6-烷基磺酰氧基；以及药学上可接受的酸盐，用于治疗更年期后症状，如骨质疏松症，心血管疾病，如高脂血症等。