5-Bromo-2-methylquinoline

Base Information

• Chemical Name: 5-Bromo-2-methylquinoline
• CAS No.: 54408-52-5
• Molecular Formula: C10H8BrN
• Molecular Weight: 222.084
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50481547
• Nikkaji Number: J2.880.793G
• Wikidata: Q72448039
• Mol file: 54408-52-5.mol

Synonyms:5-BROMO-2-METHYLQUINOLINE;54408-52-5;5-Bromoquinaldine;5-bromo-2-methyl-quinoline;MFCD13189490;2-Mehtyl-5-bromoquinoline;SCHEMBL2223768;DTXSID50481547;UICMDSLRHPXLEH-UHFFFAOYSA-N;AC2042;AKOS016003519;AB68514;CS-11404;SY019640;CS-0103513;FT-0734220;A26320;EN300-6736727;5-Bromo-2-methylquinoline

Chemical Property of 5-Bromo-2-methylquinoline

Chemical Property:

• Melting Point: 30oC
• Boiling Point: 299.7±20.0 °C(Predicted)
• PKA: 4.73±0.50(Predicted)
• PSA: 12.89000
• Density: 1.488
• LogP: 3.30570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• 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:

97% ^*data from raw suppliers

5-Bromo-2-methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C=C1)C(=CC=C2)Br

Technology Process of 5-Bromo-2-methylquinoline

There total 6 articles about 5-Bromo-2-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: 46.0%

m-Bromoaniline (591-19-5) + paracetaldehyde (123-63-7) → 2-methyl-7-bromo-quinoline (4965-34-8) + 5-bromo-2-methylquinoline (54408-52-5)

Guidance literature:

m-Bromoaniline; paracetaldehyde; With hydrogenchloride; In water; at 0 ℃; for 4h; Reflux;

With sodium hydroxide; In water; at 0 ℃;

Reference yield: 30.0%

2-methylquinoline (91-63-4) → 5-bromo-2-methylquinoline (54408-52-5)

Guidance literature:

With aluminum (III) chloride; bromine; In 1,2-dichloro-ethane;

DOI:10.1016/j.bmcl.2008.08.110

Reference yield:

2-Methyl-quinoline-5-diazonium; bromide (57155-51-8) → 5-bromo-2-methylquinoline (54408-52-5)

Guidance literature:

With copper(I) bromide; Yield given;

DOI:10.1248/cpb.29.1615

upstream raw materials:

2-Methyl-quinoline-5-diazonium; bromide

2-methyl-5-aminoquinoline

2-methyl-5-nitroquinoline

2-methylquinoline

Downstream raw materials:

5-methoxy-2-methylquinoline

2-methylquinoline

2-methyl-5-styryl-1,2,3,4-tetrahydroquinoline