2-(2-oxopyrrolidin-1-yl)propanal | 37142-07-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-(2-oxopyrrolidin-1-yl)propanal
• 英文别名: 2-(pyrrolidin-2-on-1-yl)propanal
• CAS: 37142-07-7
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: XWKVQLBQTYGLCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-oxopyrrolidin-1-yl)propanal 在 9-氮杂双环[3.3.1]壬烷-3-酮N-氧自由基 、 氧气 、 硝酸 、 sodium nitrite 作用下， 以 水 、 乙腈 为溶剂， 23.0 ℃ 、101.33 kPa 条件下， 反应 8.0h， 以83%的产率得到
  参考文献：
  名称：

  KetoABNO/NOx 共催化醛有氧氧化为羧酸并通过顺序不对称加氢甲酰化/氧化获得 α-手性羧酸

  摘要：

  使用有机硝酰基和NO x助催化剂开发了一种将醛有氧氧化为羧酸的方法。KetoABNO（9-氮杂双环[3.3.1]壬南-3-酮N-氧基）和NaNO 2分别被确定为最佳硝酰基和NO x源。反应条件温和，能够连续进行烯烃不对称加氢甲酰化/需氧醛氧化，得到 α-手性羧酸，而无需外消旋化。使用一系列带有不同官能团的非手性醛进一步评估了氧化方法的范围、实用性和局限性。

  DOI：

  10.1021/acs.orglett.6b01598
• 作为产物：
  描述：

  N-乙烯基吡咯烷酮 、 一氧化碳 在 acetylacetonatodicarbonylrhodium(l) 氢气 作用下， 以 甲苯 为溶剂， 80.0 ℃ 、2.0 MPa 条件下， 反应 3.0h， 生成 2-(2-oxopyrrolidin-1-yl)propanal 、 3-(2-oxo-1-pyrrolidinyl)propanal
  参考文献：
  名称：

  酰胺与亚磷酸酯配体的高度区域选择性加氢甲酰化

  摘要：

  研究了用单齿亚磷酸酯和Rh（acac）（CO）2衍生的催化剂对酰胺进行的区域选择性加氢甲酰化。在N-乙烯基邻苯二甲酰亚胺的加氢甲酰化反应中，所有基于双酚的配体都生成了支链醛。使用空间庞大的亚磷酸酯时，观察到最快的反应。还研究了烯烃（E）-N-丙烯基邻苯二甲酰亚胺，乙烯基吡咯烷酮，乙烯基己内酰胺和乙烯基咔唑。

  DOI：

  10.1016/j.tetlet.2008.03.135

文献信息

• [EN] CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS<br/>[FR] DÉRIVÉS D'AMIDES CYCLIQUES ET LEUR PRODUCTION ET UTILISATION COMME AGENTS ANTITHROMBOTIQUES
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005113504A1

  公开（公告）日：2005-12-01

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y1 represents -C(O)-, -S(O)- or -S(O)2-, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X2 represents a bond or an optionally substituted lower alkylene, Y2 represents -C(O)-, -S(O)-, -S(O)2- or -C(=NR7)-, X3 represents an optionally substituted C1-4 alkylene or an optionally substituted C2-4 alkenylene, Z3 represents -N(R4)-, -O- or a bond, Z1 represents -C(R2)(R2')-, -N(R2)-, etc., and Z2 represents -C(R3)(R3')-, -N(R3)-, etc., or a salt thereof.

  本发明提供了一种环酰胺衍生物，可用作治疗血栓症的药物，其化学式为（I）：其中R1代表一个可选择取代的环烃基或一个可选择取代的杂环基，W代表一个键或一个可选择取代的双价链烃基，a代表0、1或2，X1代表一个可选择取代的较低碳烷基或一个可选择取代的较低烯烃基，Y1代表-C（O）-、-S（O）-或-S（O）2-，A代表可能进一步取代的哌嗪环或可能进一步取代的哌啶环，X2代表一个键或一个可选择取代的较低碳烷基，Y2代表-C（O）-、-S（O）-、-S（O）2-或-C（=NR7）-，X3代表一个可选择取代的C1-4烷基或一个可选择取代的C2-4烯烃基，Z3代表-N（R4）-、-O-或一个键，Z1代表-C（R2）（R2'）-、-N（R2）-等，Z2代表-C（R3）（R3'）-、-N（R3）-等，或其盐。
• Cyclic Amide Derivative, and Its Production and Use
  申请人：Kubo Keiji

  公开号：US20070244118A1

  公开（公告）日：2007-10-18

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I)-: wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.

  本发明提供了一种环酰胺衍生物，用作治疗血栓的药物，其化学式表示为(I)-:其中R1表示可选取代的环烃基或可选取代的杂环基，W表示键或可选取代的二价链烃基，a表示0、1或2，X1表示可选取代的较低烷基或可选取代的较低烯基，Y1表示—C(O)—、—S(O)—或—S(O)2—，A表示可进一步取代的哌嗪环或可进一步取代的哌啶环，X2表示键或可选取代的较低烷基，Y2表示—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—，X3表示可选取代的C1-4烷基或可选取代的C2-4烯基，Z3表示—N(R4)—、—O—或键，Z1表示—C(R2)(R2′)—、—N(R2)—等，Z2表示—C(R3)(R3′)—、—N(R3)—等，或其盐。
• Cyclic amide derivative, and its production and use
  申请人：Kubo Keiji

  公开号：US20080255352A1

  公开（公告）日：2008-10-16

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.

  本发明提供了一种用于治疗血栓症的环酰胺衍生物，其化学式表示为(I)：其中，R1代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的双价链烃基，a代表0、1或2，X1代表可选取代的较低烷基烯基或可选取代的较低烷基，Y1代表—C（O）—、—S（O）—或—S（O）2—，A代表可进一步取代的哌嗪环或可进一步取代的吡啶环，X2代表键或可选取代的较低烷基，Y2代表—C（O）—、—S（O）—、—S（O）2—或—C（═NR7）—，X3代表可选取代的C1-4烷基或可选取代的C2-4烯基，Z3代表—N（R4）—、—O—或键，Z1代表—C（R2）（R2′）—、—N（R2）—等，Z2代表—C（R3）（R3′）—、—N（R3）—等，或其盐。
• CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE
  申请人：KUBO Keiji

  公开号：US20100160629A1

  公开（公告）日：2010-06-24

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.

  本发明提供了一种环酰胺衍生物，可用作治疗血栓症的药物，其化学式为(I)，其中R1代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的二价链烃基，a代表0、1或2，X1代表可选取代的较低烷基或可选取代的较低烯基，Y1代表—C(O)—、—S(O)—或—S(O)2—，A代表可能进一步取代的哌嗪环或可能进一步取代的哌啶环，X2代表键或可选取代的较低烷基，Y2代表—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—，X3代表可选取代的C1-4烷基或可选取代的C2-4烯基，Z3代表—N(R4)—、—O—或键，Z1代表—C(R2)(R2′)—、—N(R2)—等，Z2代表—C(R3)(R3′)—、—N(R3)—等，或其盐。
• Cyclic amide derivatives, and their production and use as antithrombotic agents
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2208726A1

  公开（公告）日：2010-07-21

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y1 represents - C(O)-, -S(O)- or -S(O)2-, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X2 represents a bond or an optionally substituted lower alkylene, Y2 represents -C(O)-, -S(O)-, -S(O)2- or -C(=NR7)-, X3 represents an optionally substituted C1-4 alkylene or an optionally substituted C2-4 alkenylene, Z3 represents -N(R4)-, -O- or a bond, Z1 represents -C(R2)(R2')-, -N(R2)-, etc., and Z2 represents - C(R3)(R3')-, -N(R3)-, etc., or a salt thereof.

  本发明提供了一种可用作治疗血栓形成药物的环酰胺衍生物，它由式 (I) 表示： 其中 R1 代表任选取代的环烃基或任选取代的杂环基，W 代表键或任选取代的二价链烃基，a 代表 0、1 或 2，X1 代表任选取代的低级亚烷基或任选取代的低级亚烯基，Y1 代表 -C(O)-、-S(O)- 或 -S(O)2-、A 代表可被进一步取代的哌嗪环或可被进一步取代的哌啶环，X2 代表键或任选取代的低级亚烷基，Y2 代表 -C(O)-、-S(O)-、-S(O)2- 或 -C(=NR7)-，X3 代表任选取代的 C1-4 亚烷基或任选取代的 C2-4 烯基，Z3 代表 -N(R4)-、-O- 或键，Z1 代表 -C(R2)(R2')-、-N(R2)- 等。,Z2代表-C(R3)(R3')-、-N(R3)-等，或其盐。