3-Bromo-6-chloroquinoline

Base Information

• Chemical Name: 3-Bromo-6-chloroquinoline
• CAS No.: 13669-65-3
• Molecular Formula: C9H5BrClN
• Molecular Weight: 242.502
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50572186
• Wikidata: Q82460470
• Mol file: 13669-65-3.mol

Synonyms:3-BROMO-6-CHLOROQUINOLINE;13669-65-3;Quinoline, 3-bromo-6-chloro-;MFCD18253965;3-bromo-6-chloro-quinoline;3-bromo-6-chloro_quinoline;SCHEMBL789944;DTXSID50572186;VIPZVVMRXUNRAT-UHFFFAOYSA-N;AMY26095;AKOS025146624;CS-W000484;SB33050;AS-41420;SY258425;EN300-124511;A850554

Chemical Property of 3-Bromo-6-chloroquinoline

Chemical Property:

• Boiling Point: 311.8±22.0 °C(Predicted)
• PKA: 1.72±0.14(Predicted)
• PSA: 12.89000
• Density: 1.673±0.06 g/cm3(Predicted)
• LogP: 3.65070
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 240.92939
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-6-chloroquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=C(C=C2C=C1Cl)Br

Technology Process of 3-Bromo-6-chloroquinoline

There total 3 articles about 3-Bromo-6-chloroquinoline 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: 61.0%

6-chloroquinoline (612-57-7) → 3-bromo-6-chloroquinoline (13669-65-3)

Guidance literature:

With N-Bromosuccinimide; In acetic acid; at 70 - 115 ℃; for 3.5h;

Reference yield:

→ 3-bromo-6-chloroquinoline (13669-65-3)

Guidance literature:

at 180 - 190 ℃;

Reference yield:

6-chloro-quinoline; perbromide → 3-bromo-6-chloroquinoline (13669-65-3)

Guidance literature:

at 180 - 190 ℃;

upstream raw materials:

6-chloroquinoline

Downstream raw materials:

C₂₃H₂₅Cl₃N₄O₂S

C₂₂H₂₃Cl₃N₄O₂S

N-[5-(2-amino-3-(1,3-benzodioxol-5-yl)-6-quinolinyl)-2-(methyloxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-{2-amino-3-[4-(aminosulfonyl)phenyl]-6-quinolinyl}-2-(methyloxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

Refernces

• 1、 -. "NOVEL PHENYLALANINE DERIVATIVE". Page 57; 58. . Retrieved 2010/02/08.