1,3-Cyclopentanedione, 4,4,5,5-tetramethyl- | 74896-19-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-Cyclopentanedione, 4,4,5,5-tetramethyl-
• 英文别名: 4,4,5,5-tetramethylcyclopentane-1,3-dione
• CAS: 74896-19-8
• 化学式: C₉H₁₄O₂
• 分子量: 154.21
• InChiKey: CKYSLAMKRDMWRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Production Method of Polycyclic Lactams
  申请人：Hirata Norihiko

  公开号：US20090118519A1

  公开（公告）日：2009-05-07

  A process for producing lactams of formula (1) below, including the step of reacting lactones of formula (2) below with imides of any of formulae (3a), (3b) and (3c) to thereby obtain corresponding carboxylic acids (step A); the step of esterifying the carboxylic acids into corresponding esters (step B); and the step of reacting the esters with amines to thereby obtain lactams of the formula (1) (step C). In the formulae (1)-(2) and (3a)-(3c), when R 3 and R 4 are simultaneously hydrogen atoms, R is a substituted methylene or optionally substituted polymethylene; when at least one of R 3 and R 4 is a substituent other than hydrogen atom, R is an optionally substituted methylene or polymethylene; each of R 3 , R 4 , R 5 and R 6 independently is a hydrogen atom, a halogen atom, cyano, etc.; each of A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , A 8 , A 9 and A 10 independently is a hydrogen atom, a halogen atom, nitro, etc.; and M is a hydrogen atom or an alkali metal atom.

  以下为制备式（1）内的内酰胺的方法，包括将制备式（2）的内酯与制备式（3a）、（3b）或（3c）的亚酰胺反应，从而得到相应的羧酸（步骤A）；酯化羧酸以得到相应的酯（步骤B）；将酯与胺反应以得到制备式（1）的内酰胺（步骤C）。在制备式（1）-（2）和（3a）-（3c）中，当R3和R4同时为氢原子时，R为取代亚甲基或可选的取代聚亚甲基；当R3和R4中至少有一个是除氢原子以外的取代基时，R为可选的取代亚甲基或聚亚甲基；R3、R4、R5和R6中的每一个独立地是氢原子、卤素原子、氰基等；A1、A2、A3、A4、A5、A6、A7、A8、A9和A10中的每一个独立地是氢原子、卤素原子、硝基等；M为氢原子或碱金属原子。
• CATALYTIC CARBONYLATION CATALYSTS AND METHODS
  申请人：Lee Han

  公开号：US20140296522A1

  公开（公告）日：2014-10-02

  In one aspect, the present invention provides catalysts for the carbonylation of heterocycles. The inventive catalysts feature metal-ligand complexes having cationic functional groups tethered to the ligand, wherein the tethered cationic groups are associated with anionic metal carbonyl species. The invention also provides methods of using the inventive catalysts to affect the ring opening carbonylation of epoxides.
• CATALYSTS FOR EPOXIDE CARBONYLATION
  申请人：Novomer, Inc.

  公开号：US20170080409A1

  公开（公告）日：2017-03-23

  The present invention encompasses catalysts for the carbonylation of heterocycles such as ethylene oxide, as well as methods for their use. The catalysts feature Lewis acidic metal complexes having one or more tethered metal-coordinating groups in combination with at least one metal carbonyl species. In preferred embodiments, the inventive catalysts have improved stability when subjected to product separation conditions in continuous ethylene oxide carbonylation processes.
• US9327280B2
  申请人：——

  公开号：US9327280B2

  公开（公告）日：2016-05-03