55441-53-7

Basic information

• Product Name: 4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE
• Synonyms: 4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE;4-AMINO-2-(1-PYRROLIDINYL)PYRIMIDINE-5-CARBONITRILE;BUTTPARK 135\40-56
• CAS NO: 55441-53-7
• Molecular Formula: C9H11N5
• Molecular Weight: 189.22
• Mol File: 55441-53-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: 237℃
• Boiling Point: 452ºC at 760 mmHg
• Flash Point: 227.1 ºC
• Appearance: /
• Density: 1.32 g/cm³
• Vapor Pressure: 2.33E-08mmHg at 25°C
• Refractive Index: 1.632
• CAS DataBase Reference: 4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE(55441-53-7)
• EPA Substance Registry System: 4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE(55441-53-7)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 55441-53-7(Hazardous Substances Data)

Usage

General Description

4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE is a chemical compound with the molecular formula C10H13N5. It is a pyrimidine-based compound that contains an amino group and a pyrrolidinyl group. 4-AMINO-2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBONITRILE is commonly used in pharmaceutical and medicinal chemistry due to its potential as a building block for the synthesis of various bioactive molecules. It may also have applications in the development of new drugs and therapeutic agents. Additionally, it is used as a reagent in organic synthesis and chemical research.

InChI:InChI=1/C9H11N5/c10-5-7-6-12-9(13-8(7)11)14-3-1-2-4-14/h6H,1-4H2,(H2,11,12,13)

Upstream product

• 123-75-1 pyrrolidine 
• 17356-08-0 thiourea 
• 123-06-8 Ethoxymethylenemalononitrile 

Relevant articles and documents

A Novel Solution- and Solid-Phase Approach to 2,4,5-Tri- and 2,4,5,6-Tetrasubstituted Pyrimidines and Their Conversion into Condensed Heterocycles

A novel general synthesis of 2,4,5-tri- and 2,4,5,6-tetrasubstituted pyrimidines 5a-d and 7a, e, f, g by condensation of thiouronium salts of type 3 with (ethoxymethylidene)malononitrile (4) and [bis(methylthio)methylidene]malononitrile (6), respectively, was first established in solution (Scheme 1) and successfully transferred onto solid support by using the polymer-bound thiouronium salt 11 (Scheme 3). Further investigations were directed toward a multidirectional cleavage procedure of the 2-(alkylsulfinyl) intermediates, obtained from the 2-(alkylthio)pyrimidines 7a (Scheme 2) or 12 and 14 (Schemes 3 and 4), with different nucleophiles to form highly substituted pyrimidines. In addition, fused-heterocycle derivatives 22a-h, 24a-c, and 26a-e were generated in good-to-excellent yields by condensation of 7a, e, h with versatile isocyanates and isothiocyanates, with subsequent alkylation (Scheme 5).