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1,3-Dimethylbarbituric acid

  • Product Name: 1,3-Dimethylbarbituric acid
  • CAS: 769-42-6
  • Purity:
  • Appearance: Yellow or brownish powder

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Factory Supply industrial standard 1,3-Dimethylbarbituric acid 769-42-6 In Stock

  • Molecular Formula:C6H8N2O3
  • Molecular Weight:156.141
  • Appearance/Colour:Yellow or brownish powder 
  • Vapor Pressure:0.0746mmHg at 25°C 
  • Melting Point:121-123 °C(lit.) 
  • Refractive Index:1.511 
  • Boiling Point:228.1 °C at 760 mmHg 
  • PKA:pK1:4.68(+1) (25°C) 
  • Flash Point:95.3 °C 
  • PSA：57.69000 
  • Density:1.322 g/cm3 
  • LogP:-0.69730 

1,3-Dimethylbarbituric acid(Cas 769-42-6) Usage

Purification Methods

Crystallise the acid from water and sublime it in a vacuum. Also purify it by dissolving 10g in 100mL of boiling CCl4/CHCl3 (8:2) (1g charcoal), filtering and cooling to 25o. Dry it in vacuo [Kohn et al. Anal Chem 58 3184 1986]. [Beilstein 24 III/IV 1875.]

General Description

1,3-Dimethylbarbituric acid (1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione) is an active methylene compound. It undergoes hollow Pd6 water-soluble cage, [{(tmen)Pd}6(timb)4](NO3)12 (tmen= N,N,N′,N′-tetramethylethylenediamine, timb=1,3,5-tris(1-imidazolyl)benzene)-catalyzed Knoevenagel condensation reaction with pyrene-1-carboxaldehyde. It undergoes self-sorted Pd7 molecular boat having an internal nanocavity (catalyst)-assisted Knoevenagel condensation reaction with various aromatic aldehydes. It has been synthesized by reacting 1,3-dimethylurea, malonic acid and acetic anhydride in acetic acid. It is widely used for the synthesis of various synthetic intermediates and heterocyclic compounds.

InChI:InChI=1/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

769-42-6 Relevant articles

Kinetics of Electrophilic Alkylations of Barbiturate and Thiobarbiturate Anions

Schade, Alexander,Tchernook, Ivan,Bauer, Mirko,Oehlke, Alexander,Breugst, Martin,Friedrich, Joachim,Spange, Stefan

, p. 8476 - 8488 (2017)

Second-order rate constants (k2) of the ...

Synthesis, Characterization, and in vitro Antibacterial Evaluation of Barbituric Acid Derivatives

Shukla,Bishnoi,Devi,Kumar,Srivastava,Srivastava,Fatma

, p. 860 - 865 (2019)

A series of 5,5′-(arylmethylene)bis[1,3-...

Ultrasound-assisted rapid synthesis of 2-aminopyrimidine and barbituric acid derivatives

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, p. 649 - 658 (2020/02/11)

Novel, inexpensive, and relatively exped...

Dynamic Covalent Metathesis in the C=C/C=N Exchange between Knoevenagel Compounds and Imines

Gu, Ruirui,Flidrova, Karolina,Lehn, Jean-Marie

supporting information, p. 5560 - 5568 (2018/05/01)

Fast and reversible dynamic covalent C=C...

769-42-6 Process route

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Conditions
Conditions Yield
With sodium chloride; In water; at 25 ℃; Equilibrium constant;
 
dimethyl sulfate
77-78-1

dimethyl sulfate

C<sub>5</sub>H<sub>4</sub>N<sub>2</sub>O<sub>3</sub><sup>(2-)</sup>*2K<sup>(1+)</sup>

C5H4N2O3(2-)*2K(1+)

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Conditions
Conditions Yield
In water; at 10 ℃; Yield given. Yields of byproduct given;
 

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