1-ACETYL-3-METHYLUREA

Base Information

• Chemical Name: 1-ACETYL-3-METHYLUREA
• CAS No.: 623-59-6
• Molecular Formula: C4H8 N2 O2
• Molecular Weight: 116.12
• Hs Code.: 2924210090
• NSC Number: 7608
• DSSTox Substance ID: DTXSID0060773
• Nikkaji Number: J3.007D
• Wikidata: Q81989189
• Mol file: 623-59-6.mol

Synonyms:Urea,1-acetyl-3-methyl- (6CI,7CI,8CI); 1-Acetyl-3-methylurea; 1-Methyl-3-acetylurea;N-Acetyl-N'-methylurea; N-Methyl-N'-acetylurea; NSC 7608;N'-Methyl-N-acetylurea

Chemical Property of 1-ACETYL-3-METHYLUREA

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 180°C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 346.4°C at 760 mmHg
• PKA: 13.02±0.46(Predicted)
• Flash Point: 163.3°C
• PSA: 58.20000
• Density: 1.215g/cm³
• LogP: 0.24370
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.058577502
• Heavy Atom Count: 8
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

1-Acetyl-3-methylurea >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC(=O)NC

Technology Process of 1-ACETYL-3-METHYLUREA

There total 3 articles about 1-ACETYL-3-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:

diethyl malonate (105-53-3) → acetamide (60-35-5) + N-acetyl-N'-methylurea (623-59-6) + 1,1,2,2-tetracarboethoxy-ethylene (6174-95-4)

Guidance literature:

Geben die nach heftiger Explosion erhaltene Produkts in Aether bei -15grad und Lassen die Temperatur allmaehlich ansteigen;

Reference yield:

3,6-dimethyluracil (19674-60-3) + water (7732-18-5) → N-acetyl-N'-methylurea (623-59-6) + methylcarbamoyl-oxalamic acid (89281-42-5) + oxalic acid (144-62-7,97993-78-7) + N-Methylurea (598-50-5)

Guidance literature:

Reference yield:

diethyl ether (60-29-7,927820-24-4) + N-bromo-acetamide; sodium-compound (89088-94-8) → acetamide (60-35-5) + N-acetyl-N'-methylurea (623-59-6)

Guidance literature:

at -15 ℃;

upstream raw materials:

3,6-dimethyluracil

water

diethyl malonate

diethyl ether

Downstream raw materials:

6-amino-5-isopropyl-1-methyl-1H-pyrimidine-2,4-dione

6-amino-1-methyl-5-propyl-1H-pyrimidine-2,4-dione

5,5-diallyl-1-methyl-pyrimidine-2,4,6-trione

5-phenyloxazolidine-2,4-dione