5-Acetyluracil

Base Information

• Chemical Name: 5-Acetyluracil
• CAS No.: 6214-65-9
• Molecular Formula: C6H6 N2 O3
• Molecular Weight: 154.125
• Hs Code.: 2933599090
• NSC Number: 34716
• DSSTox Substance ID: DTXSID50283987
• Nikkaji Number: J2.186.970H
• Wikidata: Q72435952
• ChEMBL ID: CHEMBL3780013
• Mol file: 6214-65-9.mol

Synonyms:5-acetyluracil

Chemical Property of 5-Acetyluracil

Chemical Property:

• Vapor Pressure: 1.4E-07mmHg at 25°C
• Melting Point: 278 °C (dec.)(lit.)
• Boiling Point: 265°C
• PKA: 7.04±0.10(Predicted)
• Flash Point: 206.6°C
• PSA: 82.79000
• Density: 1.351g/cm³
• LogP: -0.73420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

5-Acetyl-1H-pyrimidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CNC(=O)NC1=O

Technology Process of 5-Acetyluracil

There total 7 articles about 5-Acetyluracil 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: 97.0%

trimethylsilyl iodide (16029-98-4) + (2,4-dimethoxy-5-pyrimidinyl) acetylene (83355-88-8) → 5-acetyluracil (6214-65-9)

Guidance literature:

In chloroform; for 2h; Heating;

DOI:10.1002/jhet.5570190303

Reference yield: 49.0%

ethyl 2-hydroxy-4-methylpyrimidine-5-carboxylate (6214-64-8) → 5-acetyluracil (6214-65-9)

Guidance literature:

With potassium hydroxide; In water; for 1h; Heating;

DOI:10.1002/jhet.5570420413

Reference yield: 35.0%

ethyl 2-acetyl-3-ureido-2-propenoate (6319-01-3) → 5-acetyluracil (6214-65-9)

Guidance literature:

ethyl 2-acetyl-3-ureido-2-propenoate; With potassium hydroxide; In water; at 65 ℃; for 1h;

With hydrogenchloride; In water; pH=5;

DOI:10.1007/s10593-010-0634-7

upstream raw materials:

ethyl 2-acetyl-3-ureido-2-propenoate

trimethylsilyl iodide

(2,4-dimethoxy-5-pyrimidinyl) acetylene

5-(α-Chlorovinyl)-2,4-dichloropyrimidine

Downstream raw materials:

butoxycarbonyl-4 methyl-3 phenyl-1 pyrazole

phenylhydrazone de l'acetyl-5 uracile

methyl-3 phenyl-1 oxo-6 dihydro-6,7 pyrazolo<3,4-d>pirimidine

allophanoyl-4 methyl-3 phenyl-1 pyrazole