5-氧代吡咯烷-2-醋酸乙酯 | 94157-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 5-氧代吡咯烷-2-醋酸乙酯
• 中文别名: 苯并[b][1,8]二氮杂萘-5-胺,7-氟-2,4-二甲基-
• 英文名称: Ethyl 5-oxopyrrolidine-2-acetate
• 英文别名: ethyl 2-(5-oxopyrrolidin-2-yl)acetate
• CAS: 94157-93-4
• 化学式: C₈H₁₃NO₃
• 分子量: 171.19
• InChiKey: YWXNHKPRAUFNLS-UHFFFAOYSA-N

物化性质

• 沸点：
  321.8±15.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof
  申请人：Hirata Norihiko

  公开号：US20100280259A1

  公开（公告）日：2010-11-04

  N-tert-butoxycarbonyl-2-pyrrolidinones represented by the following formula (1). In the formula (1), R1, R2, R3, R4, R5 and R6 independently represent a hydrogen atom, a halogen atom, a cyano group, a linear, branched or cyclic alkyl group having 1 to 10 carbon atoms, which may have a substituent, a linear, branched or cyclic alkenyl group having 2 to 10 carbon atoms, which may have a substituent, or the like, R1 and R2 may be linked to form a >C═O group along with the carbon atom to which both are attached, R3 and R4 may be linked to form a >C═O group along with the carbon atom to which both are attached, R5 and R6 may be linked to form a >C═O group along with the carbon atom to which both are attached, or any two among R1, R2, R3, R4, R5 and R6 may be linked to form a polymethylene group having 1 to 4 carbon atoms which may have a substituent.

  以下公式（1）表示N-tert-丁氧羰基-2-吡咯酮。在公式（1）中，R1，R2，R3，R4，R5和R6独立地表示氢原子，卤素原子，氰基，具有1到10个碳原子的线性，支链或环状烷基，可以具有取代基，具有2到10个碳原子的线性，支链或环状烯基，可以具有取代基，或类似物，R1和R2可以连接形成>C═O基团，同时与它们附着的碳原子，R3和R4可以连接形成>C═O基团，同时与它们附着的碳原子，R5和R6可以连接形成>C═O基团，同时与它们附着的碳原子，或者R1，R2，R3，R4，R5和R6中的任意两个可以连接形成具有1到4个碳原子的聚亚甲基基团，可以具有取代基。
• N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF
  申请人：Hirata Norihiko

  公开号：US20090163722A1

  公开（公告）日：2009-06-25

  N-tert-butoxycarbonyl-2-pyrrolidinones represented by the following formula (1). In the formula (1), R1, R2, R3, R4, R5 and R6 independently represent a hydrogen atom, a halogen atom, a cyano group, a linear, branched or cyclic alkyl group having 1 to 10 carbon atoms, which may have a substituent, a linear, branched or cyclic alkenyl group having 2 to 10 carbon atoms, which may have a substituent, or the like, R1 and R2 may be linked to form a >C═O group along with the carbon atom to which both are attached, R3 and R4 may be linked to form a >C═O group along with the carbon atom to which both are attached, R5 and R6 may be linked to form a >C═O group along with the carbon atom to which both are attached, or any two among R1, R2, R3, R4, R5 and R6 may be linked to form a polymethylene group having 1 to 4 carbon atoms which may have a substituent.

  下列化学式（1）代表的是N-叔丁氧羰基-2-吡咯酮。 在化学式（1）中，R1、R2、R3、R4、R5和R6各自独立地代表氢原子、卤素原子、氰基、具有1到10个碳原子的直链、支链或环状烷基，可能具有取代基，具有2到10个碳原子的直链、支链或环状烯基，可能具有取代基，或者类似物。R1和R2可以连接形成>C═O基团，同时与两者连接的碳原子相连。R3和R4可以连接形成>C═O基团，同时与两者连接的碳原子相连。R5和R6可以连接形成>C═O基团，同时与两者连接的碳原子相连。或者，在R1、R2、R3、R4、R5和R6中的任意两个可以连接形成具有1到4个碳原子的聚亚甲基基团，可能具有取代基。
• N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2008999A1

  公开（公告）日：2008-12-31

  N-tert-butoxycarbonyl-2-pyrrolidinones of the following formula (1): [wherein, R1, R2, R3, R4, R5 and R6 represent each independently a hydrogen atom, halogen atom, cyano group, optionally substituted linear, branched or cyclic alkyl group having 1 to 10 carbon atoms, optionally substituted linear, branched or cyclic alkenyl group having 2 to 10 carbon atoms, optionally substituted aryl group having 6 to 20 carbon atoms, optionally substituted amino group, -ORa group, or -SRb group, Ra and Rb represent each independently a hydrogen atom, alkylcarbonyl group having 2 to 10 carbon atoms, arylcarbonyl group having 7 to 20 carbon atoms, aralkyl group having 7 to 20 carbon atoms, alkoxyalkyl group having 2 to 10 carbon atoms, trialkylsilyl group having 3 to 10 carbon atoms, alkyl group having 1 to 10 carbon atoms, aryl group having 6 to 20 carbon atoms, alternatively, R1 and R2 may be connected to form a >C=O group together with a carbon atom to which they are connected, R3 and R4 may be connected to form a >C=O group together with a carbon atom to which they are connected, R5 and R6 may be connected to form a >C=O group together with a carbon atom to which they are connected, any two of R1, R2, R3, R4, R5 and R6 may be connected to form an optionally substituted polymethylene group having 1 to 4 carbon atoms, one or no-mutually-adjacent two methylene groups constituting the polymethylene group may be substituted by an oxygen atom, one or two ethylene groups constituting the polymethylene group may be substituted by a vinylene group, no-mutually-adjacent two methylene groups constituting the polymethylene group may be mutually connected via an oxygen atom, methylene group, ethylene group or vinylene group.].

  下式(1)的 N-叔丁氧羰基-2-吡咯烷酮： [其中，R1、R2、R3、R4、R5 和 R6 各自独立地代表氢原子、卤素原子、氰基、任选取代的具有 1 至 10 个碳原子的直链、支链或环状烷基、任选取代的具有 2 至 10 个碳原子的直链、支链或环状烯基、任选取代的具有 6 至 20 个碳原子的芳基、任选取代的氨基、-Ra和 Rb 各自独立地代表氢原子、具有 2 至 10 个碳原子的烷基羰基、具有 7 至 20 个碳原子的芳基羰基、具有 7 至 20 个碳原子的芳烷基、具有 2 至 10 个碳原子的烷氧基烷基、具有 3 至 10 个碳原子的三烷基硅基、具有 1 至 10 个碳原子的烷基、具有 6 至 20 个碳原子的芳基、 或者，R1 和 R2 连接在一起，形成一个 >C=O 基团，R3 和 R4 连接在一起，形成一个 >C=O 基团，R5 和 R6 连接在一起，形成一个 >C=O 基团，R7 和 R8 连接在一起，形成一个 >C=O 基团，R8 和 R9 连接在一起，形成一个 >C=O 基团，R1 和 R2 连接在一起，形成一个 >C=O 基团，R3 和 R4 连接在一起，形成一个 >C=O 基团，R5 和 R6 连接在一起，形成一个 >C=O 基团、 R1、R2、R3、R4、R5 和 R6 中的任意两个可连接成具有 1 至 4 个碳原子的任选取代的聚亚甲基，构成聚亚甲基的一个或不相邻的两个亚甲基可被一个氧原子取代、构成聚亚甲基的一个或两个亚乙基基团可被亚乙烯基团取代，构成聚亚甲基的不相邻的两个亚甲基基团可通过氧原子、亚甲基基团、亚乙基基团或亚乙烯基团相互连接。].
• US8242285B2
  申请人：——

  公开号：US8242285B2

  公开（公告）日：2012-08-14