3-[4]piperidyl-butyric acid ethyl ester | 104093-68-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[4]piperidyl-butyric acid ethyl ester
• 英文别名: 3-[4]Piperidyl-buttersaeure-aethylester；Ethyl 3-(piperidin-4-yl)butanoate；ethyl 3-piperidin-4-ylbutanoate
• CAS: 104093-68-7
• 化学式: C₁₁H₂₁NO₂
• 分子量: 199.293
• InChiKey: AAOUTRNQJRUKFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 3-[4]piperidyl-butyric acid ethyl ester
  参考文献：
  名称：

  Michlina; Rubzow, Zhurnal Obshchei Khimii, 1957, vol. 27, p. 77,81; engl. Ausg. S. 89, 92

  摘要：

  DOI：

文献信息

• FUSED BENZENE DERIVATIVE AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1553074A1

  公开（公告）日：2005-07-13

  The present invention provides a compound represented by the general formula: [wherein Ring A represents an optionally substituted 5- to 8-membered ring, Ring B represents a further optionally substituted 4- to 10-membered ring, Ring C represents a further optionally substituted benzene ring, X1 represents carbon atom, X2 represents a carbon atom, an oxygen atom, etc., W represents a nitrogen atom, etc., Y11 represents a group represented by the formula CR2R3' (wherein R2 represents a hydrogen atom, a cyano group, a nitro group, etc., and R3' represents a hydrogen atom, a cyano group, a nitro group, etc., respectively), Y21 represents a group represented by the formula CR4R5' (wherein R4 represents a hydrogen atom, a cyano group, a nitro group, etc., and R5' represents a hydrogen atom, a cyano group, a nitro group, etc., respectively), etc., and R1 represents an electron-withdrawing group, respectively. The formula represents a single bond or a double bond] or a salt thereof, which is useful as an androgen receptor modulator.

  本发明提供了通式所代表的化合物： [其中环A代表任选取代的5-至8元环，环B代表进一步任选取代的4-至10元环，环C代表进一步任选取代的苯环，X1代表碳原子，X2代表碳原子、氧原子等，W代表氮原子等，Y11代表由式CR2R3'代表的基团（其中R2分别代表氢原子、氰基、硝基等），Y21代表由式CR4R5'代表的基团、和 R3' 分别代表氢原子、氰基、硝基等），Y21 代表式 CR4R5' 所代表的基团（其中 R4 代表氢原子、氰基、硝基等，R5' 分别代表氢原子、氰基、硝基等）等，R1 分别代表一个抽电子基团。式中代表单键或双键]或其盐，可用作雄激素受体调节剂。
• Fused benzene derivative and use
  申请人：Shiraishi Mitsuru

  公开号：US20060106067A1

  公开（公告）日：2006-05-18

  The present invention provides a compound represented by the general formula: [wherein Ring A represents an optionally substituted 5- to 8-membered ring, Ring B represents a further optionally substituted 4- to 10-membered ring, Ring C represents a further optionally substituted benzene ring, X 1 represents carbon atom, X 2 represents a carbon atom, an oxygen atom, etc., W represents a nitrogen atom, etc., Y 11 represents a group represented by the formula CR 2 R 3′ (wherein R 2 represents a hydrogen atom, a cyano group, a nitro group, etc., and R 3′ represents a hydrogen atom, a cyano group, a nitro group, etc., respectively), Y 21 represents a group represented by the formula CR 4 R 5′ (wherein R 4 represents a hydrogen atom, a cyano group, a nitro group, etc., and R 5′ represents a hydrogen atom, a cyano group, a nitro group, etc., respectively), etc., and R 1 represents an electron-withdrawing group, respectively. The formula represents a single bond or a double bond] or a salt thereof, which is useful as an androgen receptor modulator.
• US7649001B2
  申请人：——

  公开号：US7649001B2

  公开（公告）日：2010-01-19