1-(5-Bromopyridin-3-yl)piperazine

Base Information

• Chemical Name: 1-(5-Bromopyridin-3-yl)piperazine
• CAS No.: 412347-30-9
• Molecular Formula: C₉H₁₂BrN₃
• Molecular Weight: 242.118
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50431865
• Wikidata: Q82245864
• Mol file: 412347-30-9.mol

Synonyms:1-(5-bromopyridin-3-yl)piperazine;412347-30-9;1-(5-Bromo-3-pyridyl)piperazine;5-Bromo-3-(piperazin-1-yl)pyridine;MFCD09910230;SCHEMBL3067811;DTXSID50431865;AKOS015966885;BS-28249;SY271759;A6842;CS-0186264;FT-0647112;F19716;EN300-1910531;J-503407

Chemical Property of 1-(5-Bromopyridin-3-yl)piperazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 366.5°Cat760mmHg
• Flash Point: 175.5°C
• PSA: 28.16000
• Density: 1.448g/cm³
• LogP: 1.64750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 241.02146
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

1-(5-Bromo-3-pyridyl)piperazine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC(=CN=C2)Br

Technology Process of 1-(5-Bromopyridin-3-yl)piperazine

There total 2 articles about 1-(5-Bromopyridin-3-yl)piperazine 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: 43.0%

piperazine (110-85-0) + 3,5-dibromopyridine (625-92-3) → 1-(5-bromopyridin-3-yl)piperazine (412347-30-9)

Guidance literature:

at 130 ℃; for 100h;

DOI:10.1021/jm058058h

Reference yield:

piperazine (110-85-0) + 3-bromo-5-fluoropyridine (407-20-5) → 1-(5-bromopyridin-3-yl)piperazine (412347-30-9)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; dimethyl sulfoxide; at 100 ℃;

Reference yield:

1-(5-bromopyridin-3-yl)piperazine (412347-30-9) + 4-phenylpyrrolidin-2-one (1198-97-6) → C19H22N4O (1608496-77-0)

Guidance literature:

With potassium phosphate; copper(l) iodide; trans-N,N-dimethyl-cyclohexane-1,2-diamine; potassium carbonate; In 1,4-dioxane; at 110 ℃;

DOI:10.1016/j.bmcl.2014.03.049

upstream raw materials:

piperazine

3,5-dibromopyridine

3-bromo-5-fluoropyridine

Downstream raw materials:

1-(5,6-dibromopyridin-3-yl)piperazine

C₁₉H₂₂N₄O

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