5-Bromo-1,3-dimethyl-6-phenyluracil

Base Information

• Chemical Name: 5-Bromo-1,3-dimethyl-6-phenyluracil
• CAS No.: 98854-09-2
• Molecular Formula: C12H11BrN2O2
• Molecular Weight: 295.13
• Hs Code.: 2933599090
• ChEMBL ID: CHEMBL33951
• DSSTox Substance ID: DTXSID50530382
• Wikidata: Q82401474
• Mol file: 98854-09-2.mol

Synonyms:5-BROMO-1,3-DIMETHYL-6-PHENYLURACIL;98854-09-2;5-Bromo-1,3-dimethyl-6-phenylpyrimidine-2,4(1H,3H)-dione;5-BROMO-1,3-DIMETHYL-6-PHENYLPYRIMIDINE-2,4-DIONE;CHEMBL33951;SCHEMBL10854437;DTXSID50530382

Chemical Property of 5-Bromo-1,3-dimethyl-6-phenyluracil

Chemical Property:

• Vapor Pressure: 1.79E-05mmHg at 25°C
• Boiling Point: 363.5°C at 760 mmHg
• Flash Point: 173.7°C
• PSA: 44.00000
• Density: 1.558g/cm³
• LogP: 1.51350
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 294.00039
• Heavy Atom Count: 17
• Complexity: 386

Purity/Quality:

98%Min ^*data from raw suppliers

5-BROMO-1,3-DIMETHYL-6-PHENYLURACIL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)Br)C2=CC=CC=C2

Technology Process of 5-Bromo-1,3-dimethyl-6-phenyluracil

There total 3 articles about 5-Bromo-1,3-dimethyl-6-phenyluracil 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: 50.8%

dimethyl sulfate (77-78-1) + 5-bromo-6-phenylpyrimidine-2,4(1H,3H)-dione (16290-56-5) → 5-bromo-1,3-dimethyl-6-phenyluracil (98854-09-2)

Guidance literature:

With sodium hydroxide; for 18h; Heating;

DOI:10.1021/jm00158a030

Reference yield: 39.0%

5-bromo-1,3-dimethyluracil (7033-39-8) + iodobenzene (591-50-4) → 1,3-dimethyl-6-phenyluracil (42542-99-4) + 5-bromo-1,3-dimethyl-6-phenyluracil (98854-09-2)

Guidance literature:

With copper(I) bromide; lithium tert-butoxide; In N,N-dimethyl-formamide; for 1h; regioselective reaction; Reflux;

DOI:10.1016/j.tet.2012.11.001

Reference yield: 15.0%

5,6-Dibromo-1,3-dimethyluracil (79462-73-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 5-bromo-1,3-dimethyl-6-phenyluracil (98854-09-2) + 1,3-dimethyl-1H-dibenzo[f,h]quinazoline-2,4-dione (51209-65-5)

Guidance literature:

for 6h; Irradiation;

DOI:10.1016/S0040-4039(00)98327-8

upstream raw materials:

dimethyl sulfate

5-bromo-6-phenylpyrimidine-2,4(1H,3H)-dione

5,6-Dibromo-1,3-dimethyluracil

benzene