8-Bromo-4-methylquinoline

Base Information

• Chemical Name: 8-Bromo-4-methylquinoline
• CAS No.: 172939-50-3
• Molecular Formula: C₁₀H₈BrN
• Molecular Weight: 222.084
• Hs Code.: 2933499090
• European Community (EC) Number: 825-036-1
• DSSTox Substance ID: DTXSID20572198
• Wikidata: Q82460483
• Mol file: 172939-50-3.mol

Synonyms:8-bromo-4-methylquinoline;172939-50-3;MFCD12024579;4-methyl-8-bromoquinoline;8-bromo-4-methyl-quinoline;SCHEMBL516343;DTXSID20572198;RNCFUSVOFDOIRR-UHFFFAOYSA-N;AMY36640;AKOS015842642;SY042028;A3821;CS-0215424;EN300-246296;Z1269210897

Chemical Property of 8-Bromo-4-methylquinoline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 315.773 °C at 760 mmHg
• Flash Point: 144.774 °C
• PSA: 12.89000
• Density: 1.488 g/cm³
• LogP: 3.30570
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• 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

8-Bromo-4-methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC=C(C2=NC=C1)Br

Technology Process of 8-Bromo-4-methylquinoline

There total 2 articles about 8-Bromo-4-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: 54.0%

methyl vinyl ketone (78-94-4,25038-87-3) + 2-bromoaniline (615-36-1) → 8-bromo-4-methylquinoline (172939-50-3)

Guidance literature:

2-bromoaniline; With methanesulfonic acid; In acetic acid; at 50 - 60 ℃; for 0.25h;

methyl vinyl ketone; In acetic acid; at 90 ℃; for 17h;

Reference yield:

4-methyl-8-aminoquinoline (62748-01-0) → 8-bromo-4-methylquinoline (172939-50-3)

Guidance literature:

With hydrogenchloride; sodium nitrite; Erwaermen der Rktlsg_. mit Kupfer(I)-bromid und wss. Bromwasserstoffsaeure;

DOI:10.1021/ja01854a016

upstream raw materials:

4-methyl-8-aminoquinoline

methyl vinyl ketone

2-bromoaniline