93271-75-1

Basic information

• Product Name: DiMethyl 2-(2-PyriMidyl)Malonate
• Synonyms: DiMethyl 2-(2-PyriMidyl)Malonate
• CAS NO: 93271-75-1
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.1867
• Mol File: 93271-75-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 282.6°C at 760 mmHg
• Flash Point: 124.7°C
• Appearance: /
• Density: 1.266g/cm³
• Vapor Pressure: 0.00332mmHg at 25°C
• Refractive Index: 1.507
• PKA: 8.55±0.46(Predicted)
• CAS DataBase Reference: DiMethyl 2-(2-PyriMidyl)Malonate(CAS DataBase Reference)
• NIST Chemistry Reference: DiMethyl 2-(2-PyriMidyl)Malonate(93271-75-1)
• EPA Substance Registry System: DiMethyl 2-(2-PyriMidyl)Malonate(93271-75-1)

Safety Data

• Hazardous Substances Data: 93271-75-1(Hazardous Substances Data)

Usage

General Description

DiMethyl 2-(2-PyriMidyl)Malonate is a chemical compound with the molecular formula C9H11NO4. It is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals. DiMethyl 2-(2-PyriMidyl)Malonate contains two methyl groups, a pyrimidine ring, and a malonate group, which makes it a versatile intermediate for various chemical reactions. It is a pale yellow solid with a melting point of 163-165 degrees Celsius and is soluble in organic solvents such as acetone and ethanol. DiMethyl 2-(2-PyriMidyl)Malonate is also known for its potential as an antitumor agent in cancer research.

InChI:InChI=1/C9H10N2O4/c1-14-8(12)6(9(13)15-2)7-10-4-3-5-11-7/h3-6H,1-2H3

Upstream product

• 4595-60-2 2-bromopyrimidine 
• 108-59-8 malonic acid dimethyl ester 
• 18424-76-5 dimethyl malonate sodium salt 
• 14161-09-2 2-methylsulphonyl-pyrimidine 

Downstream Products

• 5053-43-0 2-methylpyrimidine 

Relevant articles and documents

Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4- triazolo[3,4-a]phthalazines as GABAA receptor agonists at the α3 subunit

We have previously identified the 7,8,9,10-tetrahydro-7,10-ethano-1,2,4- triazolo[3,4-a]phthalazine (1) as a potent partial agonist for the 0.3 receptor subtype with 5-fold selectivity in binding affinity over α1. This paper describes a detailed investigation of the substituents on this core structure at both the 3- and 6-positions. Despite evaluating a wide range of groups, the maximum selectivity that could be achieved in terms of affinity for the α3 subtype over the α1 subtype was 12-fold (for 57). Although most analogues showed no selectivity in terms of efficacy, some did show partial agonism at α1 and antagonism at α3 (e.g., 25 and 75). However, two analogues tested (93 and 96), both with triazole substituents in the 6-position, showed significantly higher efficacy for the α3 subtype over the α1 subtype. This was the first indication that selectivity in efficacy in the required direction could be achieved in this series.

TAUTOMERISM OF AZINE DERIVATIVES. 6.* TAUTOMERISM OF 2-PYRIMIDINYLMETHANE DERIVATIVES

The existence of a pyrimidinyl-pyrimidinylidene tautomeric equilibrium in solutions of 2-pyrimidinylcyanoacetic acid esters in CDCl3 was observed.Unsymmetrically substituted compounds form two types of ylidene tautomers that differ with respect to the position of the NH proton, the ratio between which is controlled by the substituents in the 4(6) position.The introduction of both donor and acceptor substituents into the 5 position of the pyrimidine ring increase the amount of the pyrimidine form.The same thing occurs when the polarity of the solvent is decreased.The addition of DMSO or DMF to CDCl3 leads to conversion of the intrachelate ylidene tautomers to unchelated tautomers.Protonation (CF3COOH) shifts the equilibrium to favor the ylidene tautomers has higher basicity.