3-Bromo-2,5-difluoropyridine

Base Information

• Chemical Name: 3-Bromo-2,5-difluoropyridine
• CAS No.: 1211331-43-9
• Molecular Formula: C5H2BrF2N
• Molecular Weight: 193.978
• Hs Code.: 2933599590
• European Community (EC) Number: 856-362-2
• DSSTox Substance ID: DTXSID20562094
• Wikidata: Q82446089
• Mol file: 1211331-43-9.mol

Synonyms:3-Bromo-2,5-difluoropyridine;1211331-43-9;3-bromo-2,5-difluoro-pyridine;MFCD12827553;SCHEMBL502743;DTXSID20562094;SCRAIOJQLNXLKL-UHFFFAOYSA-N;AKOS006333243;SB21087;BS-22401;SY122294;CS-0063871;EN300-99164;P11496;A891944;J-511831

Chemical Property of 3-Bromo-2,5-difluoropyridine

Chemical Property:

• Boiling Point: 162.7±35.0 °C(Predicted)
• PKA: -5.21±0.20(Predicted)
• PSA: 12.89000
• Density: 1.808±0.06 g/cm3(Predicted)
• LogP: 2.12230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 192.93387
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99%, ^*data from raw suppliers

3-Bromo-2,5-difluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1Br)F)F

Technology Process of 3-Bromo-2,5-difluoropyridine

There total 2 articles about 3-Bromo-2,5-difluoropyridine 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: 68.0%

3-bromo-5-fluoropyridin-2-amine (869557-43-7) → 3-bromo-2,5-difluoro-pyridine (1211331-43-9)

Guidance literature:

3-bromo-5-fluoropyridin-2-amine; With pyridine; hydrogen fluoride; sodium nitrite; at 0 - 50 ℃; for 1.5h; polyethylene reaction vessel;

With sodium carbonate; In water;

Reference yield:

2-amino-5-fluoropyridine (21717-96-4) → 3-bromo-2,5-difluoro-pyridine (1211331-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / acetonitrile / 20 °C

2: pyridine; sodium nitrite; hydrogen fluoride / 1.5 h / 0 - 50 °C / polyethylene reaction vessel

With pyridine; N-Bromosuccinimide; hydrogen fluoride; sodium nitrite; In acetonitrile;

Reference yield: 63.0%

3-bromo-2,5-difluoro-pyridine (1211331-43-9) + 4-[(1R)-1-aminoethyl]cyclohexanol hydrobromide → 4-[(1R)-1-[(3-bromo-5-fluoro-2-pyridyl)amino]ethyl]cyclohexanol

Guidance literature:

4-[(1R)-1-aminoethyl]cyclohexanol hydrobromide; With potassium carbonate; In N,N-dimethyl-formamide; at 15 ℃; for 0.5h;

3-bromo-2,5-difluoro-pyridine; at 120 ℃; for 8h;

DOI:10.1021/acsmedchemlett.0c00045

upstream raw materials:

2-amino-5-fluoropyridine

3-bromo-5-fluoropyridin-2-amine

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