N-((5-bromopyridin-3-yl)methyl)aniline

Base Information

• Chemical Name: N-((5-bromopyridin-3-yl)methyl)aniline
• CAS No.: 61686-61-1
• Molecular Formula: C₁₂H₁₁BrN₂
• Molecular Weight: 263.137
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80571985
• Wikidata: Q82460202

Synonyms:N-((5-bromopyridin-3-yl)methyl)aniline;61686-61-1;N-[(5-Bromopyridin-3-yl)methyl]aniline;SCHEMBL22191486;DTXSID80571985;J-522741

Chemical Property of N-((5-bromopyridin-3-yl)methyl)aniline

Chemical Property:

• PSA: 24.92000
• LogP: 3.52920
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 262.01056
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

N-((5-Bromopyridin-3-yl)methyl)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NCC2=CC(=CN=C2)Br

Technology Process of N-((5-bromopyridin-3-yl)methyl)aniline

There total 6 articles about N-((5-bromopyridin-3-yl)methyl)aniline 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: 86.0%

→ 3-(N-Phenylamino)methyl-5-bromopyridine (61686-61-1)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In acetonitrile; for 16h; Reflux;

Reference yield: 73.0%

3-bromo-5-(chloromethyl)-pyridine hydrochloride (39741-46-3) + aniline (62-53-3) → 3-(N-Phenylamino)methyl-5-bromopyridine (61686-61-1)

Guidance literature:

In ethanol; for 17h; Heating;

Reference yield:

[1-(5-Bromo-pyridin-3-yl)-meth-(Z)-ylidene]-phenyl-amine → 3-(N-Phenylamino)methyl-5-bromopyridine (61686-61-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 25 ℃; for 24h; Yield given;

DOI:10.1080/00304949809355317

upstream raw materials:

3-bromo-5-(chloromethyl)-pyridine hydrochloride

aniline

3-bromo-5-(hydroxymethyl)pyridine hydrochloride

5-bromopyridine-3-carbaldehyde

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