5-Bromo-4,6-dihydroxypyrimidine

Base Information

• Chemical Name: 5-Bromo-4,6-dihydroxypyrimidine
• CAS No.: 15726-38-2
• Molecular Formula: C4H3BrN2O2
• Molecular Weight: 190.984
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID50408294
• Wikidata: Q72454745
• Mol file: 15726-38-2.mol

Synonyms:5-Bromo-4,6-dihydroxypyrimidine;15726-38-2;5-bromopyrimidine-4,6-diol;5-Bromo-pyrimidine-4,6-diol;5-bromo-4-hydroxy-1H-pyrimidin-6-one;MFCD00047380;4(1H)-Pyrimidinone, 5-bromo-6-hydroxy-;SCHEMBL8567643;AMY1667;DTXSID50408294;XVXHFPZMRQXGBM-UHFFFAOYSA-N;AKOS000282945;AKOS005166953;AKOS028109272;AC-2388;CS-W002229;SB55496;5-Bromo-4 pound not6-dihydroxypyrimidine;SY022527;A3456;FT-0600916;5-bromo-6-hydroxy-3,4-dihydropyrimidin-4-one;EN300-113612;W-201417

Chemical Property of 5-Bromo-4,6-dihydroxypyrimidine

Chemical Property:

• Vapor Pressure: 0.00116mmHg at 25°C
• Melting Point: 263-264 °C (decomp)(Solv: water (7732-18-5))
• Refractive Index: 1.729
• Boiling Point: 290.9 °C at 760 mmHg
• PKA: 3.09±0.10(Predicted)
• Flash Point: 129.7 °C
• PSA: 66.24000
• Density: 2.25 g/cm³
• LogP: 0.65030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.93779
• Heavy Atom Count: 9
• Complexity: 209

Purity/Quality:

98%Min ^*data from raw suppliers

5-Bromo-4,6-dihydroxypyrimidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-4,6-dihydroxypyrimidine

There total 4 articles about 5-Bromo-4,6-dihydroxypyrimidine 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: 87.0%

6-oxo-5-phenyliodonium-1,6-dihydropyrimidin-4-olate → 5-Brom-4,6-dihydroxypyrimidin (15726-38-2)

Guidance literature:

With hydrogen bromide; In ethanol; for 0.25h; Heating;

Reference yield: 80.0%

4,6-pyrimidinediol (1193-24-4) → 5-bromo-4,6-dihydroxypyrimidine (15726-38-2)

Guidance literature:

With bromine; In methanol;

DOI:10.1080/00397919308011121

Reference yield:

→ 5-bromo-4,6-dihydroxypyrimidine (15726-38-2)

Guidance literature:

4,6-Dihydroxy-pyrimidin, NBS/Eg.;

upstream raw materials:

4,6-pyrimidinediol

Downstream raw materials:

4,6-dichloro-5-phenylsulfanylpyrimidine

4,6-dihydroxy-5-benzylthiopyrimidine

Refernces

• 1、 -. "NOVEL PYRIMIDINE DERIVATIVES EFFICACIOUS AS PSYCHOTROPIC DRUG AND PROCESS FOR THE PRODUCTION THEREOF". . . Retrieved 2008/06/13.
• 2、 Habib, Nargues Samuel,Kappe, Thomas. "Ylides of Heterocycles. VII. . I-, N-, P- and S-Ylides of Pyrimidones". . p. 385 - 388. Retrieved 2007/10/02.