2,6-Dibromo-4-cyanopyridine

Base Information

• Chemical Name: 2,6-Dibromo-4-cyanopyridine
• CAS No.: 408352-58-9
• Molecular Formula: C₆H₂Br₂N₂
• Molecular Weight: 261.903
• European Community (EC) Number: 874-638-0
• DSSTox Substance ID: DTXSID70356208
• Wikidata: Q82135441
• Mol file: 408352-58-9.mol

Synonyms:408352-58-9;2,6-dibromoisonicotinonitrile;2,6-DIBROMO-4-CYANOPYRIDINE;2,6-dibromopyridine-4-carbonitrile;4-Pyridinecarbonitrile, 2,6-dibromo-;2,6-dibromo-4-pyridinecarbonitrile;4-CYANO-2,6-DIBROMOPYRIDINE;SCHEMBL21121844;DTXSID70356208;MFCD03086034;DS-11336;CS-0041342;FT-0759419;C75067;EN300-177407;A825306;J-400206

Chemical Property of 2,6-Dibromo-4-cyanopyridine

Chemical Property:

• Boiling Point: 280.8±35.0 °C(Predicted)
• PKA: -7.02±0.10(Predicted)
• PSA: 36.68000
• Density: 2.19±0.1 g/cm3(Predicted)
• LogP: 2.47828
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 261.85642
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dibromoisonicotinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(N=C1Br)Br)C#N

Technology Process of 2,6-Dibromo-4-cyanopyridine

There total 2 articles about 2,6-Dibromo-4-cyanopyridine 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:

→ 2,6-dibromopyridine-4-carbonitrile (408352-58-9) + 2,6-dibromoisonicotinic acid (2016-99-1)

Guidance literature:

With phosphorus(V) oxybromide; at 170 ℃; im Autoklaven und Behandeln des Reaktionsprodukts mit Wasserdampf;

Reference yield:

2,6-dichloro-4-cyanopyridine (32710-65-9) → 2,6-dibromopyridine-4-carbonitrile (408352-58-9)

Guidance literature:

2,6-dichloro-4-cyanopyridine; With hydrogen bromide; In acetic acid; at 103 ℃; for 9h; Inert atmosphere;

With phosphorus tribromide; In acetic acid; at 130 ℃; for 16.75h; Inert atmosphere;

DOI:10.1021/jf404209d

Reference yield:

2,6-dibromopyridine-4-carbonitrile (408352-58-9) → 2,6-dibromo-4-(hydroxymethyl)pyridine (223463-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl₂; HCl; diethyl ether

2: aqueous hydrochloric acid; aqueous sodium nitrite

With hydrogenchloride; diethyl ether; tin(ll) chloride; sodium nitrite;

upstream raw materials:

2,6-dichloro-4-cyanopyridine

Downstream raw materials:

C-(2,6-dibromo-[4]pyridyl)-methylamine

2,6-dibromo-4-(hydroxymethyl)pyridine

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