Methyl 2,5-dibromonicotinate

Base Information

• Chemical Name: Methyl 2,5-dibromonicotinate
• CAS No.: 78686-82-5
• Molecular Formula: C7H5Br2NO2
• Molecular Weight: 294.93
• European Community (EC) Number: 888-583-5
• DSSTox Substance ID: DTXSID30506560
• Wikidata: Q82362357
• Mol file: 78686-82-5.mol

Synonyms:Methyl 2,5-dibromonicotinate;78686-82-5;METHYL 2,5-DIBROMOPYRIDINE-3-CARBOXYLATE;METHYL 2,5-DIBROMO-3-PYRIDINECARBOXYLATE;2,5-DIBROMOPYRIDINE-3-CARBOXYLIC ACID METHYL ESTER;Methyl2,5-dibromonicotinate;3-Pyridinecarboxylic acid, 2,5-dibromo-, methyl ester;SCHEMBL20872624;DTXSID30506560;MFCD14698023;AKOS016846022;PB26964;AS-19886;CS-0053813;FT-0724312;P11748

Chemical Property of Methyl 2,5-dibromonicotinate

Chemical Property:

• Melting Point: 48-49 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 292.4±35.0 °C(Predicted)
• PKA: -3.60±0.20(Predicted)
• PSA: 39.19000
• Density: 1.928±0.06 g/cm3(Predicted)
• LogP: 2.39320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 294.86665
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

Methyl2,5-Dibromonicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(N=CC(=C1)Br)Br

Technology Process of Methyl 2,5-dibromonicotinate

There total 1 articles about Methyl 2,5-dibromonicotinate 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: 89.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,5-Dibromonicotinic acid (29312-99-0) → Methyl 2,5-dibromonicotinate (78686-82-5)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1021/je00025a033

Reference yield:

Methyl 2,5-dibromonicotinate (78686-82-5) + phenylmethanethiol (100-53-8) → methyl 2-(benzylthio)-5-bromo-nicotinate

Guidance literature:

phenylmethanethiol; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 0.25h;

Methyl 2,5-dibromonicotinate; In tetrahydrofuran; at 0 ℃; for 0.333333h;

upstream raw materials:

diazomethane

2,5-Dibromonicotinic acid

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