2,6-Dibromoisonicotinaldehyde

Base Information

• Chemical Name: 2,6-Dibromoisonicotinaldehyde
• CAS No.: 316800-46-1
• Molecular Formula: C₆H₃Br₂NO
• Molecular Weight: 264.904
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70376628
• Wikidata: Q72464944
• Mol file: 316800-46-1.mol

Synonyms:316800-46-1;2,6-Dibromoisonicotinaldehyde;2,6-dibromopyridine-4-carbaldehyde;2,6-DIBROMOPYRIDINE-4-CARBOXALDEHYDE;2,6-Dibromo-4-pyridinecarboxaldehyde;2,6-Bibromopyridine-4-carbaldehyde;SCHEMBL7992701;DTXSID70376628;AMY10242;MFCD06410666;AKOS015891639;AB24810;CS-0194355;FT-0646117;E89990;EN300-344012;A820951;J-400209

Chemical Property of 2,6-Dibromoisonicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.000206mmHg at 25°C
• Boiling Point: 327.2 ºC at 760 mmHg
• PKA: -5?+-.0.10(Predicted)
• Flash Point: 151.7 ºC
• PSA: 29.96000
• Density: 2.09 g/cm³
• LogP: 2.41910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 264.85609
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dibromoisonicotinaldehyde 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=O

Technology Process of 2,6-Dibromoisonicotinaldehyde

There total 4 articles about 2,6-Dibromoisonicotinaldehyde 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: 90.0%

2,6-dibromo-4-(hydroxymethyl)pyridine (223463-02-3) → 2,6-Dibromopyridine-4-carbaldehyde (316800-46-1)

Guidance literature:

2,6-dibromo-4-(hydroxymethyl)pyridine; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.25h; Inert atmosphere;

With triethylamine; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jacs.7b05458

Reference yield:

ethyl 2,6-dibromo-pyridine-4-carboxylate (90050-70-7) → 2,6-Dibromopyridine-4-carbaldehyde (316800-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / NaBH₄ / ethanol / 3 h / 78 °C

2: 81 percent / (COCl)2; DMSO; Et₃N / CH₂Cl₂ / -78 - 20 °C

With sodium tetrahydroborate; oxalyl dichloride; dimethyl sulfoxide; triethylamine; In ethanol; dichloromethane; 1: Reduction / 2: Oxidation;

DOI:10.1055/s-2000-8216

Reference yield:

2,6-dibromoisonicotinic acid (2016-99-1) → 2,6-Dibromopyridine-4-carbaldehyde (316800-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: borane-THF / tetrahydrofuran / 0.17 h / 0 - 50 °C

2.1: dimethyl sulfoxide; oxalyl dichloride / dichloromethane / 0.25 h / -78 °C / Inert atmosphere

2.2: 1 h / -78 °C

With borane-THF; oxalyl dichloride; dimethyl sulfoxide; In tetrahydrofuran; dichloromethane;

upstream raw materials:

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

ethyl 2,6-dibromo-pyridine-4-carboxylate

citrazinic acid

2,6-dibromoisonicotinic acid

Downstream raw materials:

4′-formyl-2,2′:6′2″-terpyridine

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