50-11-3

Basic information

• Product Name: METHARBITAL CIII (200 MG)
• Synonyms: 1-Methylbarbital;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-methyl-;5,5-Diethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5,5-Diethyl-1-methyl-2,4,6-trioxo-hexahydropyrimidine;5,5-Diethyl-1-methylbarbituric acid;5,5-diethyl-1-methyl-barbituricaci;5,5-diethyl-1-methylbarbituricacid;6(1h,3h,5h)-pyrimidinetrione,5,5-diethyl-1-methyl-4
• CAS NO: 50-11-3
• Molecular Formula: C₉H₁₄N₂O₃
• Molecular Weight: 100.11582
• EINECS: 200-011-2
• Mol File: 50-11-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 155°
• Boiling Point: 335.53°C (rough estimate)
• Flash Point: 136.4°C
• Appearance: /
• Density: 1.2119 (rough estimate)
• Vapor Pressure: 9.9E-05mmHg at 25°C
• Refractive Index: 1.4922 (estimate)
• PKA: 8.45: Fox, Shugar, Bull. Soc. Chim. Belg. 61, 44 (1952)
• Water Solubility: 987mg/L(room temperature)
• CAS DataBase Reference: METHARBITAL CIII (200 MG)(CAS DataBase Reference)
• NIST Chemistry Reference: METHARBITAL CIII (200 MG)(50-11-3)
• EPA Substance Registry System: METHARBITAL CIII (200 MG)(50-11-3)

Safety Data

• RIDADR: 3249
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 50-11-3(Hazardous Substances Data)

Usage

Brand name

Gemonil (Abbott).

InChI:InChI=1/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)

Upstream product

• 1619-56-3 ethyl 2-ethyl-2-cyanobutyrate 
• 7647-01-0 hydrogenchloride 
• 67678-86-8 5,5-diethyl-3-methyl-6-methylamino-5H-pyrimidine-2,4-dione 
• 67678-83-5 5,5-diethyl-4-imino-3-methylbarbiturate 
• 67678-84-6 6-Amino-3-methyl-5,5-diethyl-3H,5H-pyrimidine-2,4-dione 
• 76072-09-8 5,5-diethyl-2-amino-1-methyl-1H-pyrimidine-4,6-dione 
• 129951-99-1 5,5-Diethyl-1-methyl-3-propylbarbituric acid 
• 77-25-8 diethyl diethylmalonate 
• 598-50-5 N-Methylurea 
• 57-44-3 diethylbarbituric acid 
• 74-88-4 methyl iodide 
• 67678-84-6 acide diethyl-5,5 methyl-1 imino-4 barbiturique 

Downstream Products

• 18740-48-2 5,5-diethyl-1-methyl-3-(4-nitro-benzyl)-pyrimidine-2,4,6-trione 
• 82845-38-3 N-(2-ethylbutanoyl)-N-methylurea 
• 10274-46-1 5,5-diethyl-3-methylhydantoin 
• 62983-26-0 2-Amino-N',N'-dimethylisobutyramid 
• 132660-15-2 1-Benzyl-5,5-diethyl-3-methylbarbitursaeure 
• 132660-13-0 1-(Butan-2-yl)-5,5-diethyl-3-methylbarbitursaeure 
• 132660-11-8 5,5-Diethyl-1-isopropyl-3-methylbarbitursaeure 
• 132660-12-9 5,5-Diethyl-1-(D₃)isopropyl-3-methylbarbitursaeure 
• 132660-10-7 5,5-Diethyl-1-(D₃)methyl-3-methylbarbitursaeure 
• 132660-14-1 (-)-(R)-1-(Butan-2-yl)-5,5-diethyl-3-methylbarbitursaeure 
• 714-59-0 N,N'-dimethylbarbital 

Relevant articles and documents

A Ring Enlargement Reaction with a Barbiturate

The (6-membered) barbituric acid derivative 3 was synthesized and treated with KF/DMF/18-crown-6 to form the ring-enlarged 14-membered compound 8 in good yield.

On N-methyl-5,5-diethyl-2-thiobarbituric acid.

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