2-Bromo-4,5-dimethylpyridine

Base Information

• Chemical Name: 2-Bromo-4,5-dimethylpyridine
• CAS No.: 66533-31-1
• Molecular Formula: C7H8BrN
• Molecular Weight: 186.051
• DSSTox Substance ID: DTXSID60452980
• Nikkaji Number: J2.012.869K
• Wikidata: Q72455033
• Mol file: 66533-31-1.mol

Synonyms:2-BROMO-4,5-DIMETHYLPYRIDINE;66533-31-1;Pyridine, 2-bromo-4,5-dimethyl-;MFCD11869962;SCHEMBL1826298;DTXSID60452980;OTVKPSUMDAFRQC-UHFFFAOYSA-N;AC6563;AB64948;BS-50685;SY249444;CS-0312088;EN300-99322;A900932

Chemical Property of 2-Bromo-4,5-dimethylpyridine

Chemical Property:

• Vapor Pressure: 0.03mmHg at 25°C
• Boiling Point: 252.635oC at 760 mmHg
• PKA: 1.74±0.18(Predicted)
• Flash Point: 106.59oC
• PSA: 12.89000
• Density: 1.416g/cm3
• LogP: 2.46090
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.98401
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

2-bromo-4,5-dimethylpyridine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1C)Br

Technology Process of 2-Bromo-4,5-dimethylpyridine

There total 4 articles about 2-Bromo-4,5-dimethylpyridine 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: 80.0%

3,4-Lutidin (583-58-4) → 2-bromo-4,5-dimethyl-pyridine (66533-31-1)

Guidance literature:

3,4-Lutidin; With n-butyllithium; 2-(N,N-dimethylamino)ethanol; In hexane; at 0 ℃; for 1h;

With carbon tetrabromide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Further stages.;

DOI:10.1002/ejoc.200300243

Reference yield: 22.0%

→ 2-bromo-4,5-dimethyl-pyridine (66533-31-1) + 2-bromo-3,4-dimethylpyridine (33204-85-2)

Guidance literature:

Reference yield: 20.0%

3,4-Lutidin (583-58-4) → 2-bromo-4,5-dimethyl-pyridine (66533-31-1) + 2-bromo-3,4-dimethylpyridine (33204-85-2)

Guidance literature:

3,4-Lutidin; With n-butyllithium; 2-(N,N-dimethylamino)ethanol; In hexane; at 0 ℃;

With carbon tetrabromide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

upstream raw materials:

3,4-Lutidin

Downstream raw materials:

2-hydrazinyl-4,5-dimethylpyridine

Refernces

• 1、 -. "SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES". Page/Page column 19. . Retrieved 2010/12/29.
• 2、 Kaminski, Thomas,Gros, Philippe,Fort, Yves. "Side-chain retention during lithiation of 4-picoline and 3,4-lutidine: Easy access to molecular diversity in pyridine series". . p. 3855 - 3860. Retrieved 2007/10/03.