6-Bromo-3-methylquinoline

Base Information

• Chemical Name: 6-Bromo-3-methylquinoline
• CAS No.: 97041-63-9
• Molecular Formula: C10H8BrN
• Molecular Weight: 222.084
• Hs Code.: 2933499090
• European Community (EC) Number: 809-695-2
• DSSTox Substance ID: DTXSID80588917
• Wikidata: Q82481927
• Mol file: 97041-63-9.mol

Synonyms:6-Bromo-3-methylquinoline;97041-63-9;6-Bromo-3-methyl-quinoline;MFCD09260426;Quinoline, 6-bromo-3-methyl-;SCHEMBL5048586;AMY5092;DTXSID80588917;XDA04163;AC8709;AKOS017343846;6-bromo-3-methylquinoline, AldrichCPR;AB49939;CS-16727;SY227329;DB-080451;CS-0102798;EN300-5482597;J-518378

Chemical Property of 6-Bromo-3-methylquinoline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 103 °C
• Boiling Point: 313.819°C at 760 mmHg
• PKA: 4.36±0.14(Predicted)
• Flash Point: 143.593°C
• PSA: 12.89000
• Density: 1.488g/cm³
• LogP: 3.30570
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.98401
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%Min ^*data from raw suppliers

6-Bromo-3-methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 41-22
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=CC(=C2)Br)N=C1
• Uses: 6-Bromo-3-methylquinoline is used in preparation of Imidazopyrazines as adenosine A2A receptor modulators for treatment of various diseases.

Technology Process of 6-Bromo-3-methylquinoline

There total 1 articles about 6-Bromo-3-methylquinoline 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-methyl-1.3-propanediol (2163-42-0) + 4-bromo-aniline (106-40-1) → 3-methylquinoline (612-58-8) + 6-bromo-3-methylquinoline (97041-63-9)

Guidance literature:

With ruthenium trichloride; tributylphosphine; MgBr₂*Et₂O; In 1,3,5-trimethyl-benzene; for 16h; Inert atmosphere; Reflux;

DOI:10.1039/c0ob00676a

Reference yield: 76.5%

Benzophenone imine (1013-88-3) + 6-bromo-3-methylquinoline (97041-63-9) → C23H18N2

Guidance literature:

With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; at 80 ℃; Temperature; Concentration; Reagent/catalyst;

Reference yield:

6-bromo-3-methylquinoline (97041-63-9) → (3-methylquinolin-6-yl)boronic acid

Guidance literature:

With tetrahydroxydiboron; [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][butylbis(tricyclo-[3.3.1.13,7]dec-1-yl)phosphine]chloropalladium; N-ethyl-N,N-diisopropylamine; In methanol; at 50 ℃; for 1.5h; Inert atmosphere;

upstream raw materials:

2-methyl-1.3-propanediol

4-bromo-aniline

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