5-bromo-N-butylpyridin-2-amine

Base Information

• Chemical Name: 5-bromo-N-butylpyridin-2-amine
• CAS No.: 280116-80-5
• Molecular Formula: C₉H₁₃BrN₂
• Molecular Weight: 229.12
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00573062
• Nikkaji Number: J1.293.511K
• Wikidata: Q82461644
• Mol file: 280116-80-5.mol

Synonyms:5-bromo-N-butylpyridin-2-amine;280116-80-5;2-BUTYLAMINO-5-BROMOPYRIDINE;5-Bromo-N-butyl-2-pyridinamine;SCHEMBL22795638;DTXSID00573062;n-butyl(5-bromopyridin-2-yl)amine;MFCD11123176;AKOS009228974;BS-22875;CS-0450589;J-517182

Chemical Property of 5-bromo-N-butylpyridin-2-amine

Chemical Property:

• PSA: 24.92000
• LogP: 3.12910
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 228.02621
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

2-Butylamino-5-bromopyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=NC=C(C=C1)Br

Technology Process of 5-bromo-N-butylpyridin-2-amine

There total 4 articles about 5-bromo-N-butylpyridin-2-amine 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: 93.0%

1-[(5-bromopyridin-2-yl)n-butylamino]pyridinium bromide → n-butyl(5-bromopyridin-2-yl)amine (280116-80-5)

Guidance literature:

With formic acid; triethylamine; platinum on activated charcoal; In acetonitrile; at 0 - 20 ℃; for 5h;

DOI:10.1016/S0040-4020(00)00084-3

Reference yield: 91.0%

2,5-dibromopyridine (624-28-2) + N-butylamine (109-73-9,85404-21-3) → n-butyl(5-bromopyridin-2-yl)amine (280116-80-5)

Guidance literature:

With copper(l) iodide; potassium carbonate; at 80 ℃; for 5h;

Reference yield:

pyridinium N-<2'-(5'-bromopyridyl)>aminide (157020-26-3) → n-butyl(5-bromopyridin-2-yl)amine (280116-80-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / acetone / 36 h / Heating

2: 93 percent / HCO₂H; Et₃N / Pt/C / acetonitrile / 5 h / 0 - 20 °C

With formic acid; triethylamine; platinum on activated charcoal; In acetone; acetonitrile; 1: Alkylation / 2: Reduction;

DOI:10.1016/S0040-4020(00)00084-3

upstream raw materials:

pyridinium N-<2'-(5'-bromopyridyl)>aminide

2,5-dibromopyridine

N-butylamine

5-bromo-2-pyridylamine

Downstream raw materials:

C₁₅H₁₆Cl₂N₂

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