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67-52-7

67-52-7 Structure

67-52-7 Structure
IdentificationMore
[Name]

Barbituric acid
[CAS]

67-52-7
[Synonyms]

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
2,4,6-trihydroxy-1,3-diazine
2,4,6-TRIHYDROXYPYRIMIDINE
BARBITURIC ACID
LABOTEST-BB LT00891695
MALONYLUREA
N,N'-MALONYLUREA
PYRIMIDINE TRIONE
SPECS AG-670/31547005
TIMTEC-BB SBB004242
2,4,6-Pyrimidinetriol
2,4,6-pyrimidinetrione
2,4,6-Pyrimidinetrione(1H,3H,5H)
2,4,6-Trioxohexahydropyrimidine
6-hydroxy-hydrouraci
6-Hydroxyuracil
barbituric
pyrimidinetriol
Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-
Balonylurea acid
[EINECS(EC#)]

200-658-0
[Molecular Formula]

C4H4N2O3
[MDL Number]

MFCD00006666
[Molecular Weight]

128.09
[MOL File]

67-52-7.mol
Chemical PropertiesBack Directory
[Appearance]

CREAM COLOURED FINE CRYSTALLINE POWDER
[mp ]

248-252 °C (dec.)(lit.)
[bp ]

260℃ (分解)
[Fp ]

150 °C
[Water Solubility ]

142 g/L (20 ºC)
[Merck ]

14,963
[Detection Methods]

T,NMR
[BRN ]

120502
[CAS DataBase Reference]

67-52-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Barbituric acid(67-52-7)
[EPA Substance Registry System]

67-52-7(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

CP8000000
[HS Code ]

29335200
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium methanolate-->Malonic acid
[Preparation Products]

N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide-->2,4,6-TRICHLOROPYRIMIDIN-5-AMINE-->Riboflavin-->2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide -->6-BROMO-2,4-DIMETHOXYPYRIMIDINE-->2,4,6-TRICHLORO-5-NITROPYRIMIDINE-->5-BROMO-6-HYDROXY-1H-PYRIMIDINE-2,4-DIONE-->Pigment Yellow 139-->Vitamin B2-->5-NITROBARBITURIC ACID-->ALLOXAN MONOHYDRATE-->2,4,6-TRIBROMOPYRIMIDINE-->5,5-DIETHYLBARBITURIC ACID SODIUM SALT-->URAMIL
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Malonylurea(67-52-7).msds
Questions And AnswerBack Directory
[Barbiturates]

Barbiturates are derivatives of barbituric acid, barbituric acid is formed by the condensation of malonic acid and urea, itself has no anesthetic effect, but if its C2 and C5 atoms are substituted by different genes, it can generate many species of barbiturate agents ,for example, oxygen of C2 is replaced by sulfur, which generates sulfur barbiturates, such as thiopental.
Barbiturates’ mechanism is basically the same, they act on different levels of the central nervous system, and have a non-specific inhibition. Its sedative and hypnotic effects may be related to selective inhibition of thalamic reticular upstream activating system , thereby blocking the excite transduction to cerebral cortex. Its Anticonvulsant effect is performed through inhibiting synaptic transmission in the central nervous system ,to improve the electrical stimulation threshold in motor cortex.
barbiturates having a therapeutic effect play a inhibiting role in the central nervous system , such as phenobarbital (phenobarbitone), amobarbital (amylobarbitone), thiopental , methohexital (methohexi-tone ). Inhibitory barbiturates have sedative, hypnotic, anticonvulsant and anesthetic effects, but its sedative-hypnotic agent has been eliminated, because in the process it is easy to produce severe tolerance, drug dependence and drug liver enzyme induction.
Because of some differences in their chemical structure, the body eliminate and fat-soluble manner of every drug are different , thus the speed of appearing effect and time of continuing also vary . Long-acting barbiturates such as phenobarbital (phenobarbi-tone) are still used in the treatment of epilepsy anticonvulsant. Ultrashort acting barbiturates (thiopental and methohexital) are often applied as an intravenous anesthetic.
Barbiturate intravenous anesthetics used clinically are now about ten kinds, but three to five species are commonly used . According to the view of Anesthesiology, barbiturates can be divided into two categories, namely hypnotic barbiturates and barbiturate anesthesia. The former are markedly slower drugs such as phenobarbital,having a sedative effect, before anesthesia,its administration can make the patient quiet. After intravenous injection of the latter, consciousness soon disappear,it is mainly used for general anesthesia, in which the most commonly used drug is thiopental, so this drug is representative.
Phenobarbital is a barbituric acid derivative, having weak acid,it is the central inhibitor, mainly inhibiting brain ascending reticular activating system. The shallow to deep degree of inhibition of the drug are due to the amount of small to large ,it has different levels of sedative, hypnotic and anticonvulsant, anesthetic effect. In addition, the drug also has antiepileptic effect.
The above information is edited by the chemicalbook of Tian Ye.
[Chemical Properties]

White crystalline powder. Odorless. Soluble in water and ether, insoluble in water and alcohol.
[Uses]

It is used for intermediate of organic synthesis raw materials, pharmaceuticals, plastics and dyes. It Is the intermediate of phenobarbital, vitamin B12 and other drugs,it is also used as a polymerization catalyst and the preparation of benzimidazolone-based organic pigments. Also it is used as colorimetric determination of uronic and pentosan reagents.
[production method]

It is derived By the reaction of diethyl malonate and urea. First put Urea in a reaction tank containing methanol ,heat , reflux , dissolve, then add the dried diethyl malonate and sodium methoxide, the reaction is refluxed at 66-68 ℃ for 4-5h, after distillation to recover methanol, cooling to 40-50 ℃, add dilute hydrochloric acid to adjust to pH 1-2.Cool to room temperature, throw to obtain crude, wash with distilled water once, dry to get crude , and then purify with water and activated carbon, dry to obtain products. Industrial barbituric acid is white or pink crystalline powder, strongly acidic, more than 98% content, melting point ≥245 ℃. Material consumption fixed: diethyl malonate 1098kg/t, urea 476kg/t, hydrochloric acid (reagent grade Ⅲ) 681kg/t, sodium methanol (28%) 369kg/t, methanol 1025kg/t.
[Category]

Flammable liquid
[Toxicity grading]

Middle toxic
[Acute toxicity]

oral-rat LD50:> 5000 mg/kg; intraperitoneal-Mouse LD50: 505 mg/kg
[Explosive hazardous characteristics]

allergic effect
[Flammability hazard characteristics]

Easily flammable; burning produces toxic nitrogen oxide fumes; people taking has no hypnotic effect
[Storage Characteristics]

Ventilated, low-temperature ,dry
[extinguishing agent]

Dry powder , foam, sand, carbon dioxide, water spray
Spectrum DetailBack Directory
[Spectrum Detail]

Barbituric acid(67-52-7)13CNMR
Barbituric acid(67-52-7)1HNMR
Barbituric acid(67-52-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Barbituric acid, 99+%(67-52-7)
[Alfa Aesar]

Barbituric acid, 99%(67-52-7)
[Sigma Aldrich]

67-52-7(sigmaaldrich)
[TCI AMERICA]

Barbituric Acid,>98.0%(T)(67-52-7)
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