Methylurea

Base Information

• Chemical Name: Methylurea
• CAS No.: 598-50-5
• Molecular Formula: C2H6N2O
• Molecular Weight: 74.0824
• Hs Code.: 29241900
• European Community (EC) Number: 209-935-0
• UNII: VZ89YBW3P8
• DSSTox Substance ID: DTXSID5060510
• Nikkaji Number: J2.718I
• Wikidata: Q5476523
• Metabolomics Workbench ID: 67620
• Mol file: 598-50-5.mol

Synonyms:methylurea;monomethylurea

Chemical Property of Methylurea

Chemical Property:

• Appearance/Colour: White, crystalline needles.
• Vapor Pressure: 19.8mmHg at 25°C
• Melting Point: ~93 °C
• Refractive Index: 1.432
• Boiling Point: 114.6 °C at 760 mmHg
• PKA: 14.38±0.46(Predicted)
• Flash Point: 23.1 °C
• PSA: 55.12000
• Density: 1.041 g/cm³
• LogP: 0.37570
• Storage Temp.: Store below +30°C.
• Solubility.: 1000g/l (Lit.)
• Water Solubility.: 1000 g/L (20 ºC)
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 74.048012819
• Heavy Atom Count: 5
• Complexity: 42.9

Purity/Quality:

99% ^*data from raw suppliers

N-Methylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-68-37-20/21/22
• Safety Statements: 22-36-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Urea Compounds
• Canonical SMILES: CNC(=O)N
• Uses: N-Methylurea is used as a reagent in the synthesis of bis(aryl)(hydroxyalkyl)(methyl)glycoluril derivatives and is a potential byproduct of caffeine.

Technology Process of Methylurea

There total 97 articles about Methylurea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

methyl isocyanate (624-83-9) → N-Methylurea (598-50-5)

Guidance literature:

With ammonium hydroxide; In water; at 0 - 20 ℃; for 3.5h;

DOI:10.1002/anie.201801919

Reference yield: 96.0%

N-methyl-thiocarbamic acid S-methyl ester (22013-97-4) → methylthiol (74-93-1) + N-Methylurea (598-50-5)

Guidance literature:

With ammonia; In water; at 65 ℃;

Reference yield: 96.0%

N-methyl-thiocarbamic acid S-methyl ester (22013-97-4) → N-Methylurea (598-50-5)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane;

upstream raw materials:

1-methylparabanic acid

1-methyl-2,5-dioxo-imidazolidine-4-carboxylic acid methylamide

theobromine /

N-acetyl-N'-methylurea

Downstream raw materials:

N-methyl-N'-xanthen-9-yl-urea

N-methylphthalimide

1,3-dioxo-1,3-dihydro-isoindole-2-carboxylic acid methylamide

7-methyluric acid

Refernces

10.1021/ja01299a015

The study focuses on the preparation and pharmacological investigation of di- and trialkyl barbituric acids. The researchers synthesized various malonic esters by reacting alkyl halides with sodiomalonic ester or sodioalkylmalonic ester, and then used these esters to prepare barbituric acids by condensing them with urea, methyl urea, or ethyl urea in the presence of sodium ethoxide. The barbituric acids were purified by recrystallization or fractional distillation. The study also involved converting these acids into their sodium salts and testing their pharmacological effects on laboratory animals, primarily white rats. The results indicated that the introduction of a third alkyl group generally lessened the duration of action, and in some cases, alkylating the nitrogen group made the barbituric acids less effective. The study provides insights into the relationship between the chemical structure of barbituric acids and their pharmacological properties.