3-Bromo-5-nitropyridin-4-ol

Base Information

• Chemical Name: 3-Bromo-5-nitropyridin-4-ol
• CAS No.: 31872-65-8
• Molecular Formula: C5H3BrN2O3
• Molecular Weight: 218.994
• Hs Code.: 2933399090
• European Community (EC) Number: 835-172-3
• DSSTox Substance ID: DTXSID60953780
• Mol file: 31872-65-8.mol

Synonyms:3-Bromo-5-nitropyridin-4-ol;31872-65-8;3-Bromo-4-hydroxy-5-nitropyridine;3-bromo-5-nitro-1H-pyridin-4-one;3-bromo-5-nitro-4-pyridinol;MFCD08692339;4-PYRIDINOL, 3-BROMO-5-NITRO-;5-BROMO-4-HYDROXY-3-NITROPYRIDINE;3-bromo-5-nitro-1,4-dihydropyridin-4-one;SCHEMBL690072;3-Bromo-5-nitro-pyridin-4-ol;DTXSID60953780;IIIJPRRVYYWKQW-UHFFFAOYSA-N;BCP22837;CS-M0496;VCA14942;3-bromo-5-nitro-4(1H)-pyridinone;STL327491;AKOS015856278;AKOS016001638;AB48391;AC-25178;DS-13838;SY022534;3-Bromo-5-nitropyridin-4-ol, AldrichCPR;AM20061773;B5287;FT-0660703;EN300-109383;A821037;A866666;J-512050

Chemical Property of 3-Bromo-5-nitropyridin-4-ol

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 291.7 °C at 760 mmHg
• PKA: -1.63±0.38(Predicted)
• Flash Point: 130.2 °C
• PSA: 78.94000
• Density: 1.98g/cm³
• LogP: 1.98110
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.93270
• Heavy Atom Count: 11
• Complexity: 276

Purity/Quality:

98.0% Min., ^*data from raw suppliers

3-Bromo-4-hydroxy-5-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)C(=CN1)Br)[N+](=O)[O-]

Technology Process of 3-Bromo-5-nitropyridin-4-ol

There total 2 articles about 3-Bromo-5-nitropyridin-4-ol 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: 87.8%

4-hydroxy-3-nitropyridine (5435-54-1) → 3-bromo-5-nitropyridin-4-ol (31872-65-8)

Guidance literature:

With bromine; In water; at 20 - 50 ℃; for 2h;

Reference yield: 79.0%

3-nitro-4(1H)-pyridinone (15590-90-6) → 3-bromo-5-nitro-4-pyridone (31872-65-8,70149-42-7)

Guidance literature:

With bromine; In water; at 70 ℃; for 2h;

Reference yield: 100.0%

3-bromo-5-nitropyridin-4-ol (31872-65-8) → 3-bromo-4-chloro-5-nitropyridine (31872-63-6)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; at 0 - 20 ℃; for 2h; Heating / reflux;

upstream raw materials:

4-hydroxy-3-nitropyridine

3-nitro-4(1H)-pyridinone

Downstream raw materials:

3-amino-5-bromopyridin-4-ol

3-bromo-4-chloro-5-nitropyridine

2-ethyl-7-bromo-oxazolo[4,5-c]pyridine

7-bromo-2-phenyl-oxazolo[4,5-c]pyridine

Refernces

• 1、 -. "4 - SUBSTITUTED 1, 3 - DIHYDRO - 2H - BENZIMIDAZOL - 2 - ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS". Page/Page column 49. . Retrieved 2014/01/08.
• 2、 Piatnitski Chekler, Eugene L.,Khan, Taukeer A.,Mamidala, Rajanikanth,Anderson, James T.,Tangirala, Raghuram S.,Verhoest, Patrick R.,Gilbert, Adam M.. "Azaindolines: Derisking the indoline structural alert". scheme or table. p. 377 - 379. Retrieved 2012/01/31.