N-特丁基-2-吡咯烷酮 | 20687-53-0

• 物质功能分类: 有机原料 - 杂环化合物
• 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: N-特丁基-2-吡咯烷酮
• 英文名称: N-t-butylpyrrolidone
• 英文别名: 1-tert-butyl-pyrrolidin-2-one；N-(t-butyl)-2-pyrrolidone；1-t-Butyl-2-pyrrolidinon；N-t-Butyl-2-pyrrolidinon；1-(tert-Butyl)pyrrolidin-2-one；1-tert-butylpyrrolidin-2-one
• CAS: 20687-53-0
• 化学式: C₈H₁₅NO
• 分子量: 141.213
• InChiKey: LUVQSCCABURXJL-UHFFFAOYSA-N

物化性质

• 沸点：
  227℃
• 密度：
  0.990
• 闪点：
  97℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933790090
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  N-特丁基-2-吡咯烷酮 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 18.5h， 生成 rel-(3S,1'S)-1-tert-butyl-3-(1'-hydroxybenzyl)-2-(((4-methylphenyl)sulfonyl)imino)pyrrolidine
  参考文献：
  名称：

  Reactions and diastereoselectivity of N2-arylsulfonyl amidine anions

  摘要：

  Cyclic N1-alkyl-N2-sulfonyl amidine anions undergo stereoselective aldol reactions to give the syn diastereoisomer as the major product. The ratio of syn to anti aldol products decreases as the size of the N1-alkyl increases. This is interpreted as a change in the transition state from an open-aldol to a closed-Zimmerman-Traxler-type transition state.

  DOI：

  10.1021/jo00004a035
• 作为产物：
  描述：

  γ-丁内酯 、 叔丁胺 在 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 反应 0.58h， 以30%的产率得到N-特丁基-2-吡咯烷酮
  参考文献：
  名称：

  Fast, Acid-Free, and Selective Lactamization of Lactones in Ionic Liquids

  摘要：

  A fast and acid-free one-pot 0.2-30 mmol microwave methodology for direct ionic liquid-mediated preparation of lactams from lactones and primary amines has been developed. The protocol was investigated with a wide range of primary amines and a handful of lactones, including substrates with acid-sensitive substituents. Both gamma-lactams and delta-lactams were, despite the complete absence of a Bronsted acid. obtained in useful to excellent yields after only 35 min of microwave processing.

  DOI：

  10.1021/jo8015264

文献信息

• CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20180015087A1

  公开（公告）日：2018-01-18

  Conjugates of a cereblon-binding compound and compounds having modulatory activity against G12C mutant KRAS, HRAS or NRAS G12C proteins are provided. Methods associated with preparation and use of such conjugates, pharmaceutical compositions comprising such conjugates and methods to modulate the activity of G12C mutant KRAS, HRAS or NRAS G12C proteins for treatment of disorders, such as cancer, are also provided.

  提供了与谷氨酰脑结合化合物和具有调节活性对抗G12C突变KRAS、HRAS或NRAS G12C蛋白的化合物的共轭物。还提供了与制备和使用这种共轭物相关的方法，包括含有这种共轭物的药物组合物以及调节G12C突变KRAS、HRAS或NRAS G12C蛋白活性的方法，用于治疗癌症等疾病。
• CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS
  申请人：Melvin, JR. Lawrence S.

  公开号：US20100022543A1

  公开（公告）日：2010-01-28

  The present invention provides a compound of general Formula (I) having histone deacetylase (HDAC) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  本发明提供了一种具有组蛋白去乙酰化酶（HDAC）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的方法。
• 5-HT RECEPTOR MODULATORS
  申请人：Kapadnis Prashant Bhimrao

  公开号：US20130053372A1

  公开（公告）日：2013-02-28

  The invention relates to compounds of formula (I), useful for treating disorders mediated by the 5-hydroxytryptamine (serotonin) receptor IB (5-HT1B), e.g. vascular disorders, cancer and CNS disorders. The invention also provides methods of treating such disorders, and compounds and compositions etc. for their treatment.

  本发明涉及式(I)化合物，用于治疗由5-羟基色胺（血清素）受体IB（5-HT1B）介导的疾病，例如血管疾病、癌症和CNS疾病。本发明还提供了治疗这些疾病的方法，以及用于治疗的化合物和组合物等。
• COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS
  申请人：Fan Yi

  公开号：US20120065184A1

  公开（公告）日：2012-03-15

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated TRK kinase activity.

  该发明提供了化合物、包含该化合物的药物组合物以及使用该化合物治疗或预防与TRK激酶活性异常或失调相关的疾病或病症的方法。
• METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt
  申请人：Janssen Pharmaceutica NV

  公开号：US20150105366A1

  公开（公告）日：2015-04-16

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明包括式I的化合物。 其中： R1、R2、R3、R4、R5、R6、R7、R8和R9在说明书中定义。 本发明还包括治疗或改善综合征、紊乱或疾病的方法，其中所述综合征、紊乱或疾病为类风湿性关节炎或银屑病。本发明还包括通过给予治疗有效量的至少一个权利要求1的化合物，来调节哺乳动物中RORγt活性的方法。