5-Bromo-1,3,6-trimethyluracil

Base Information

• Chemical Name: 5-Bromo-1,3,6-trimethyluracil
• CAS No.: 15018-59-4
• Molecular Formula: C7H9 Br N2 O2
• Molecular Weight: 233.065
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70164486
• Nikkaji Number: J49.022I
• Wikidata: Q83033564
• ChEMBL ID: CHEMBL4935238
• Mol file: 15018-59-4.mol

Synonyms:5-bromo-1,3,6-trimethyluracil

Chemical Property of 5-Bromo-1,3,6-trimethyluracil

Chemical Property:

• Vapor Pressure: 0.0172mmHg at 25°C
• Melting Point: 136-137 °C
• Boiling Point: 254.5°Cat760mmHg
• PKA: -3.78±0.60(Predicted)
• Flash Point: 107.7°C
• PSA: 44.00000
• Density: 1.605g/cm³
• LogP: 0.15490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 231.98474
• Heavy Atom Count: 12
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(C(=O)N1C)C)Br

Technology Process of 5-Bromo-1,3,6-trimethyluracil

There total 6 articles about 5-Bromo-1,3,6-trimethyluracil 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: 92.0%

1,3,6-trimethyluracil (13509-52-9) → 5-bromo-1,3,6-trimethylpyrimidine-2,4(1 H,3H)-dione (15018-59-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; potassium bromide; at 25 ℃;

DOI:10.1007/s11172-013-0354-0

Reference yield: 54.0%

5-bromo-6-bromomethyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (80746-00-5) → 5-bromo-1,3,6-trimethylpyrimidine-2,4(1 H,3H)-dione (15018-59-4)

Guidance literature:

With 1.3-propanedithiol; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In N,N-dimethyl-formamide; at 30 - 40 ℃;

Reference yield:

1,2,3,4-Tetrahydro-5-iodo-1,3,6-trimethyl-2,4-dioxopyrimidine (134039-54-6) → 5-bromo-1,3,6-trimethylpyrimidine-2,4(1 H,3H)-dione (15018-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / water / 80 °C

2: dihydrogen peroxide; potassium bromide; acetic acid / 25 °C

With sulfuric acid; dihydrogen peroxide; acetic acid; potassium bromide; In water;

DOI:10.1007/s11172-013-0354-0

upstream raw materials:

1,3,6-trimethyluracil

5-bromo-6-bromomethyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

1,2,3,4-Tetrahydro-5-iodo-1,3,6-trimethyl-2,4-dioxopyrimidine

6-Methyluracil

Downstream raw materials:

1,3,6-trimethyluracil

6-benzoyloxymethyl-1,3-dimethyluracil

1,3-dimethyl-6-(4-methyl-anilinomethyl)-1H-pyrimidine-2,4-dione

6-(4-methoxy-anilinomethyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

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