3,4-Dibromoquinoline

Base Information

• Chemical Name: 3,4-Dibromoquinoline
• CAS No.: 41320-96-1
• Molecular Formula: C9H5 Br2 N
• Molecular Weight: 286.953
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID00355789
• Nikkaji Number: J89.404D
• Wikidata: Q82134831
• Mol file: 41320-96-1.mol

Synonyms:3,4-Dibromoquinoline;41320-96-1;DTXSID00355789;MFCD00234473;SB72087;BS-17033;CS-0156037;D83103;AC-907/25004851

Chemical Property of 3,4-Dibromoquinoline

Chemical Property:

• Vapor Pressure: 0.00023mmHg at 25°C
• Refractive Index: 1.698
• Boiling Point: 335.7°Cat760mmHg
• Flash Point: 156.8°C
• PSA: 12.89000
• Density: 1.923g/cm³
• LogP: 3.75980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 286.87682
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%Min ^*data from raw suppliers

3,4-Dibromoquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C=N2)Br)Br

Technology Process of 3,4-Dibromoquinoline

There total 6 articles about 3,4-Dibromoquinoline 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: 76.0%

3-bromo-4-hydroxyquinoline (64965-47-5) → 3,4-dibromoquinoline (41320-96-1)

Guidance literature:

With phosphorus tribromide; for 5h; Heating;

DOI:10.1021/ol702494k

Reference yield:

4(1H)-quinolinone (529-37-3) → 3,4-dibromoquinoline (41320-96-1) + 4-bromoquinoline (3964-04-3,850917-90-7)

Guidance literature:

With phosphorus pentabromide; at 120 - 130 ℃;

Reference yield:

quinolin-4-ol (611-36-9) → 3,4-dibromoquinoline (41320-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; bromine

2: phosphorus (III)-bromide

With bromine; phosphorus tribromide; acetic acid;

DOI:10.1021/ja01211a026

upstream raw materials:

3-bromo-4-hydroxyquinoline

4(1H)-quinolinone

4-bromoquinoline

4-aminoquinoline

Downstream raw materials:

2,3,4-tribromoquinoline

4-(4-bromoquinolin-3-yl)-benzonitrile

3-(4'-methoxyphenyl)-4-(2'-thienyl)quinoline

4-(4'-methoxyphenyl)-3-(2'-thienyl)quinoline

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