5-Bromo-2-hydroxypyrimidine

Base Information

• Chemical Name: 5-Bromo-2-hydroxypyrimidine
• CAS No.: 214290-49-0
• Molecular Formula: C₄H₃BrN₂O
• Molecular Weight: 174.985
• Hs Code.: 29335990
• European Community (EC) Number: 253-896-2,807-836-2
• NSC Number: 528730
• UNII: 77LCP7CU0D
• DSSTox Substance ID: DTXSID8068090
• Nikkaji Number: J294.648C
• Mol file: 214290-49-0.mol

Synonyms:5-bromo-2-pyrimidinone

Chemical Property of 5-Bromo-2-hydroxypyrimidine

Chemical Property:

• Vapor Pressure: 4.87E-06mmHg at 25°C
• Melting Point: 230 °C (dec.)(lit.)
• Refractive Index: 1.678
• Boiling Point: 371.3 °C at 760 mmHg
• PKA: 7.16±0.10(Predicted)
• Flash Point: 178.4 °C
• PSA: 46.01000
• Density: 2 g/cm³
• LogP: 0.94470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.94288
• Heavy Atom Count: 8
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

5-Bromopyrimidin-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=O)N1)Br

Technology Process of 5-Bromo-2-hydroxypyrimidine

There total 6 articles about 5-Bromo-2-hydroxypyrimidine 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: 84.0%

2-hydroxypyrimidine hydrochloride (38353-09-2) → 5-bromopyrimidin-2-ol (38353-06-9,214290-49-0)

Guidance literature:

With bromine; In water; at 80 ℃; for 0.5h;

Reference yield: 61.0%

5-fluoro-2-(trifluoromethyl)pyrimidine (62802-38-4) → 5-bromopyrimidin-2-ol (38353-06-9,214290-49-0)

Guidance literature:

With 18-crown-6 ether; potassium hydroxide; In neat (no solvent); for 1h; Milling; Sealed tube; Green chemistry;

DOI:10.1039/d1gc04361g

Reference yield: 50.0%

2-hydroxypyrimidine (557-01-7,51953-13-0) → 5-bromopyrimidin-2-ol (38353-06-9,214290-49-0)

Guidance literature:

With bromine; In water; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo0255781

upstream raw materials:

2-hydroxypyrimidine hydrochloride

2-hydroxypyrimidine

5-bromo-2-aminopyrimidine

5-fluoro-2-(trifluoromethyl)pyrimidine

Downstream raw materials:

5-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine

5-fluoro-2-(trifluoromethyl)pyrimidine

methyl {4-[(5-bromopyrimidin-2-yl)oxy]cyclohexyl}acetate

2,5-dibromopyrimidine