tert-butyl 2,5-dioxoimidazolidine-1-carboxylate | 1398413-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: tert-butyl 2,5-dioxoimidazolidine-1-carboxylate
• 英文别名: 1,1-Dimethylethyl 2,5-dioxo-1-imidazolidinecarboxylate
• CAS: 1398413-16-5
• 化学式: C₈H₁₂N₂O₄
• 分子量: 200.194
• InChiKey: XYNYOSKLSRLJEH-UHFFFAOYSA-N

物化性质

• 密度：
  1.283±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2,5-dioxoimidazolidine-1-carboxylate 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.5h， 生成 tert-butyl 2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-3-carboxylate
  参考文献：
  名称：

  通过烯烃复分解的面向螺旋环和融合乙内酰脲的多样性导向方法。

  摘要：

  据报道，一种有效而通用的方法是通过选择性烷基化和闭环复分解（RCM）制备一系列5,5-螺环和1,5-，4,5-和3,4-稠合的双环咪唑烷酮衍生物。利用乙内酰脲环的四个可能的多样性点。含有三烯和四烯的乙内酰脲经历选择性RCM并交叉易位，以提供官能化的乙二乙内酰脲。与乙内酰脲三烯发生串联复分解序列，包括闭环-开环-闭环和交叉复分解（RC-RO-RC-CM），从而以高收率得到双环乙内酰脲二聚体。融合的双环二聚体可以参与交叉复分解以产生功能化的融合的乙内酰脲衍生物。该方法学建立了通往非天然氨基酸，脯氨酸同系物和环状邻位二胺的新途径。

  DOI：

  10.1021/jo301234r

文献信息

• [EN] 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE EN TANT QU'INHIBITEURS DE NIK DANS LE TRAITEMENT DU CANCER
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2014174021A1

  公开（公告）日：2014-10-30

  The present invention relates to compounds of formula (I) which are inhibitors of NF-KB-inducing kinase (NIK - also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

  本发明涉及式(I)化合物，该化合物是NF-KB诱导激酶（NIK，也称为MAP3K14）的抑制剂，用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病。本发明还涉及包含这种化合物的药物组合物，制备这种化合物和组合物的方法，以及使用这种化合物或药物组合物预防或治疗癌症、炎症性疾病、包括肥胖和糖尿病的代谢性疾病和自身免疫性疾病。
• 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20160075699A1

  公开（公告）日：2016-03-17

  The present invention relates to compounds of formula (I) which are inhibitors of NF- K B-inducing kinase (NIK—also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.
• US9643964B2
  申请人：——

  公开号：US9643964B2

  公开（公告）日：2017-05-09
• A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis
  作者：Kalyan Dhara、Ganesh Chandra Midya、Jyotirmayee Dash

  DOI：10.1021/jo301234r

  日期：2012.9.21

  diverse series of 5,5-spirocyclic and 1,5-, 4,5-, and 3,4-fused bicyclic imidazolidinone derivatives based on selective alkylation and ring closing metathesis (RCM) by exploiting the four possible points of diversity in the hydantoin ring. Hydantoins containing trienes and tetraenes undergo selective RCM and cross metathesis to afford functionalized spirohydantoins. A tandem metathesis sequence involving

  据报道，一种有效而通用的方法是通过选择性烷基化和闭环复分解（RCM）制备一系列5,5-螺环和1,5-，4,5-和3,4-稠合的双环咪唑烷酮衍生物。利用乙内酰脲环的四个可能的多样性点。含有三烯和四烯的乙内酰脲经历选择性RCM并交叉易位，以提供官能化的乙二乙内酰脲。与乙内酰脲三烯发生串联复分解序列，包括闭环-开环-闭环和交叉复分解（RC-RO-RC-CM），从而以高收率得到双环乙内酰脲二聚体。融合的双环二聚体可以参与交叉复分解以产生功能化的融合的乙内酰脲衍生物。该方法学建立了通往非天然氨基酸，脯氨酸同系物和环状邻位二胺的新途径。