3-Bromo-4-fluoropyridine

Base Information

• Chemical Name: 3-Bromo-4-fluoropyridine
• CAS No.: 116922-60-2
• Molecular Formula: C5H3BrFN
• Molecular Weight: 175.988
• Hs Code.: 2933399090
• European Community (EC) Number: 695-366-7
• DSSTox Substance ID: DTXSID90376443
• Nikkaji Number: J3.593.118J
• Wikidata: Q72456450
• Mol file: 116922-60-2.mol

Synonyms:3-bromo-4-fluoropyridine;116922-60-2;Pyridine, 3-bromo-4-fluoro-;MFCD04114101;3-bromanyl-4-fluoranyl-pyridine;SCHEMBL2371169;DTXSID90376443;3-Bromo-4-fluoropyridine, 97%;PKYADCLPLQPPKK-UHFFFAOYSA-N;BBL102469;STL556272;AKOS005145584;AB17892;CS-W000819;PS-8597;SY024694;AM20061691;FT-0600161;EN300-84604;J3.593.118J;A803689;J-511928

Chemical Property of 3-Bromo-4-fluoropyridine

Chemical Property:

• Vapor Pressure: 2.1mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 168.8 °C at 760 mmHg
• PKA: 1.75±0.18(Predicted)
• Flash Point: 55.9 °C
• PSA: 12.89000
• Density: 1.707 g/cm³
• LogP: 1.98320
• Storage Temp.: ?20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.94329
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

98%, ^*data from raw suppliers

3-Bromo-4-fluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1F)Br

Technology Process of 3-Bromo-4-fluoropyridine

There total 3 articles about 3-Bromo-4-fluoropyridine 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:

3-bromo-4-nitropyridine (89364-04-5) → 3-fluoro-4-nitropyridine (13505-01-6) + 3-bromo-4-fluoropyridine (116922-60-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; dimethyl sulfoxide; at 25 ℃;

Reference yield:

3-bromo-4-nitropyridine (89364-04-5) → 3-bromo-4-fluoropyridine (116922-60-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; dimethyl sulfoxide;

DOI:10.1039/c6cc02362b

Reference yield:

C5H3BrN3(1+)*BF4(1-) → 3-bromo-4-fluoropyridine (116922-60-2)

Guidance literature:

Yield given; decomposition over 30 deg C;

upstream raw materials:

3-bromo-4-nitropyridine

Downstream raw materials:

(4-fluoropyridin-3-yl)boronic acid

Refernces

• 1、 -. "SYNTHESIS OF META-SUBSTITUTED [18F]-3-FLUORO-4-AMINOPYRIDINES BY DIRECT RADIOFLUORINATION OF PYRIDINE N-OXIDES". Sheet 1/26. . Retrieved 2018/01/19.