ethyl 8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate | 56868-61-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate
• 英文别名: ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
• CAS: 56868-61-2
• 化学式: C₁₈H₂₄O₄
• 分子量: 304.386
• InChiKey: PKFCBCFBKADPKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以91%的产率得到4-benzyl-4-hydroxymethylcyclohexan-1-one ethylene ketal
  参考文献：
  名称：

  [EN] MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF
  [FR] CYANOÉNONES MONOCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本发明涉及单环氰基烯酮组合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的应用方法。

  公开号：

  WO2010011782A1
• 作为产物：
  描述：

  1,4-二噁螺[4.5]癸烷-8-羧酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以81%的产率得到ethyl 8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate
  参考文献：
  名称：

  [EN] MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF
  [FR] CYANOÉNONES MONOCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本发明涉及单环氰基烯酮组合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的应用方法。

  公开号：

  WO2010011782A1

文献信息

• [EN] ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] UTILISATION DE DERIVES D'ADAMANTYLE PYRROLIDIN-2-ONE COMME INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005108361A1

  公开（公告）日：2005-11-17

  The N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1 or 2; M represents a direct bond or a C1-3alkyl linker optionally substituted with one or two substituents selected from C1-4alkyl, C1-3alkyloxy-C1-4alkyl-, hydroxy-C1-4alkyl-, hydroxy, C1-3alkyloxy- or phenyl-C1-4alkyl-; R1 and R2 each independently represent hydrogen, halo, cyano, hydroxy, Cl-4alkyl optionally substituted with halo, C1-4alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy, Ar1 and halo ; R3 represents hydrogen, halo, C1-4alkyl, C1-4alkyloxy-, cyano or hydroxy; R4 represents hydrogen, halo, Cl-4alkyl, hydroxy, cyano or C1-4alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy and halo; R5 represents hydrogen, C1-4alkyl or Ar2-C1-4alkyl-; R6 represents hydrogen, hydroxy, halo, C1-4alkyl or C1-4alkyoxy-; R7 represents hydrogen or R7 and R5 taken together with the carbon atom to which they are attached from a -C2-alkyl- linker; Ar1 and Ar2 each independently represent phenyl or naphtyl wherein said phenyl and naphtyl are optionally substituted with C1-4alkyl, C1-4alkyloxy-, or phenyl-C1-4alkyl.

  N-氧化物形式，药学上可接受的加合盐及其立体化异构体形式，其中n为1或2；M代表直接键或C1-3烷基连接物，可选地取代为从C1-4烷基、C1-3烷氧基-C1-4烷基、羟基-C1-4烷基、羟基、C1-3烷氧基或苯基-C1-4烷基中选择的一个或两个取代基；R1和R2各自独立地代表氢、卤素、氰基、羟基、Cl-4烷基，可选地取代为卤素、C1-4烷氧基，可选地取代为从羟基、Ar1和卤素中选择的一个或多个取代基；R3代表氢、卤素、C1-4烷基、C1-4烷氧基、氰基或羟基；R4代表氢、卤素、Cl-4烷基、羟基、氰基或C1-4烷氧基，可选地取代为从羟基和卤素中选择的一个或多个取代基；R5代表氢、C1-4烷基或Ar2-C1-4烷基；R6代表氢、羟基、卤素、C1-4烷基或C1-4烷氧基；R7代表氢或R7和R5一起与它们连接的碳原子形成-C2-烷基连接物；Ar1和Ar2各自独立地代表苯或萘基，其中所述苯和萘基可选地取代为C1-4烷基、C1-4烷氧基或苯基-C1-4烷基。
• MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF
  申请人：Honda Tadashi

  公开号：US20110196007A1

  公开（公告）日：2011-08-11

  The present invention features monocyclic cyanoenone compositions and methods for using the same in the treatment of diseases such as cancer, inflammatory diseases and neurodegenerative diseases.

  本发明涉及单环氰基烯酮组合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的应用方法。
• Monocyclic cyanoenones and methods of use thereof
  申请人：Trustess of Dartmouth College

  公开号：US08314137B2

  公开（公告）日：2012-11-20

  The present invention features monocyclic cyanoenone compositions and methods for using the same in the treatment of diseases such as cancer, inflammatory diseases and neurodegenerative diseases.

  本发明涉及一种单环腈酮化合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的使用方法。
• Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors
  申请人：Jaroskova Libuse

  公开号：US20070287743A1

  公开（公告）日：2007-12-13

  the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1 or 2; M represents a direct bond or a C 1-3 alkyl linker optionally substituted with one or two substituents selected from C 1-4 alkyl, C 1-3 alkyloxy-C 1-4 alkyl-, hydroxy-C 1-4 alkyl-, hydroxy, C 1-3 alkyloxy- or phenyl-C 1-4 alkyl-; R 1 and R 2 each independently represent hydrogen, halo, cyano, hydroxy, C 1-4 alkyl optionally substituted with halo, C 1-4 alkyloxy-optionally substituted with one or where possible two or three substituents selected from hydroxy, Ar 1 and halo; R 3 represents hydrogen, halo, C 1-4 alkyl, C 1-4 alkyloxy-, cyano or hydroxy; R 4 represents hydrogen, halo, C 1-4 alkyl, hydroxy, cyano or C 1-4 alkyloxy-optionally substituted with one or where possible two or three substituents selected from hydroxy and halo; R 5 represents hydrogen, C 1-4 alkyl or Ar 2 —C 1-4 alkyl-; R 6 represents hydrogen, hydroxy, halo, C 1-4 alkyl or C 1-4 alkyoxy-; R 7 represents hydrogen or R 7 and R 5 taken together with the carbon atom to which they are attached from a —C 2 -alkyl-linker; Ar 1 and Ar 2 each independently represent phenyl or naphtyl wherein said phenyl and naphtyl are optionally substituted with C 1-4 alkyl, C 1-4 alkyloxy-, or phenyl-C 1-4 alkyl.
• US7687644B2
  申请人：——

  公开号：US7687644B2

  公开（公告）日：2010-03-30