5-Bromo-2-iodo-3-methylpyridine

Base Information

• Chemical Name: 5-Bromo-2-iodo-3-methylpyridine
• CAS No.: 376587-52-9
• Molecular Formula: C6H5BrIN
• Molecular Weight: 297.921
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID20433452
• Nikkaji Number: J2.141.275I
• Wikidata: Q72457563
• Mol file: 376587-52-9.mol

Synonyms:5-Bromo-2-iodo-3-methylpyridine;376587-52-9;5-Bromo-2-iodo-3-picoline;5-bromo-2-iodo-3-methyl-pyridine;Bromo-2-iodo-3-methylpyridine;AMY803;SCHEMBL2194376;DTXSID20433452;2-Iodo-3-methyl-5-bromopyridine;SWEVEMCJHLQDTR-UHFFFAOYSA-N;MFCD07776430;AKOS015917210;AB42361;A6427;CS-0195774;FT-0656299;I11229

Chemical Property of 5-Bromo-2-iodo-3-methylpyridine

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.646
• Boiling Point: 279.859 °C at 760 mmHg
• PKA: -0.22±0.20(Predicted)
• Flash Point: 123.054 °C
• PSA: 12.89000
• Density: 2.172 g/cm³
• LogP: 2.75710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 296.86501
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-iodo-3-methylpyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1I)Br

Technology Process of 5-Bromo-2-iodo-3-methylpyridine

There total 2 articles about 5-Bromo-2-iodo-3-methylpyridine 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: 97.0%

2,5-dibromo-3-methylpyridine (3430-18-0,141315-43-7) → 5-bromo-2-iodo-3-methylpyridine (376587-52-9)

Guidance literature:

With sodium iodide; In acetyl chloride; acetonitrile; for 24h; Reflux;

Reference yield: 86.0%

→ 5-bromo-2-iodo-3-methylpyridine (376587-52-9)

Guidance literature:

With trimethylsilyl iodide; sodium iodide; at 95 ℃; for 16h; Inert atmosphere;

Reference yield: 86.0%

phenyl isocyanate (103-71-9) + 5-bromo-2-iodo-3-methylpyridine (376587-52-9) → 3-methyl-5-bromopyridine-2-N-phenylamide (213771-38-1)

Guidance literature:

5-bromo-2-iodo-3-methylpyridine; With isopropylmagnesium chloride; In tetrahydrofuran; dichloromethane; at 0 ℃; for 1.5h;

phenyl isocyanate; In tetrahydrofuran; dichloromethane; at -20 - 0 ℃; for 1.5h;

DOI:10.1021/ol0400589

upstream raw materials:

2,5-dibromo-3-methylpyridine

Downstream raw materials:

3-methyl-5-bromopyridine-2-N-phenylamide

5-bromo-3-methylpyridine-2-carbaldehyde

5-bromo-2-(4-bromo-3-methylphenyl)-3-methylpyridine

5′-bromo-3′,5-dimethyl-6-(2-methyl-4-pyridin-3-ylphenyl)-3,2′-bipyridine

Refernces

• 1、 -. "BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME". Paragraph 0321; 0322. . Retrieved 2018/08/07.
• 2、 Ni?o, Patricia,Caba, Marta,Aguilar, Nuria,Terricabras, Emma,Albericio, Fernando,Fernàndez, Joan-Carles. "Povarov reaction, scope and limitations: Preparation of diversely heterocyclic tetrahydro-1H-cyclopenta[c]quinolines". . p. 1117 - 1130. Retrieved 2017/04/28.