6-Bromo-4-chloro-2-methylquinoline

Base Information

• Chemical Name: 6-Bromo-4-chloro-2-methylquinoline
• CAS No.: 53364-85-5
• Molecular Formula: C10H7BrClN
• Molecular Weight: 256.529
• Hs Code.: 2933499090
• European Community (EC) Number: 803-819-9
• DSSTox Substance ID: DTXSID30355055
• Wikidata: Q72453079
• Mol file: 53364-85-5.mol

Synonyms:6-bromo-4-chloro-2-methylquinoline;53364-85-5;MFCD00272373;6-Bromo-4-chloro-2-methyl-quinoline;6-Bromo-4-chloroquinaldine;SCHEMBL4966407;DTXSID30355055;OCNREXWJWVKEEB-UHFFFAOYSA-N;AMY18058;AKOS002683332;AB05644;PS-7399;SY104187;BB 0241183;CS-0130613;FT-0620987;O11547;6-Bromo-4-chloro-2-methylquinoline, AldrichCPR;EN300-3222110;AF-753/00295015

Chemical Property of 6-Bromo-4-chloro-2-methylquinoline

Chemical Property:

• Vapor Pressure: 0.000546mmHg at 25°C
• Melting Point: 75 °C
• Refractive Index: 1.661
• Boiling Point: 321.9 °C at 760 mmHg
• PKA: 3.57±0.50(Predicted)
• Flash Point: 148.5 °C
• PSA: 12.89000
• Density: 1.591 g/cm³
• LogP: 3.95910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.94504
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-4-chloro-2-methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=C(C=CC2=N1)Br)Cl

Technology Process of 6-Bromo-4-chloro-2-methylquinoline

There total 6 articles about 6-Bromo-4-chloro-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: 85.0%

6-bromo-4-hydroxy-2-methylquinoline (112182-47-5) → 6-bromo-4-chloro-2-methylquinoline (53364-85-5)

Guidance literature:

With trichlorophosphate; at 0 ℃; for 2h; Reflux;

Reference yield:

6-bromo-4-hydroxy-2-methylquinoline (103030-28-0) → 6-bromo-4-chloro-2-methylquinoline (53364-85-5)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1039/jr9390000563

Reference yield:

4-bromo-aniline (106-40-1) → 6-bromo-4-chloro-2-methylquinoline (53364-85-5)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous hydrochloric acid

2: paraffin oil / 250 °C

3: phosphoryl chloride; phosphorus (V)-chloride

With hydrogenchloride; phosphorus pentachloride; paraffin oil; trichlorophosphate;

DOI:10.1039/jr9390000563

upstream raw materials:

6-bromo-4-hydroxy-2-methylquinoline

3-(4-bromo-anilino)-crotonic acid ethyl ester

4-bromo-aniline

ethyl 3-(4-bromophenylamino)but-2-enoate

Downstream raw materials:

2-methyl-6-bromo-4-sulfanylquinoline

4-[(2-aminophenyl)thio]-6-bromo-2-methylquinoline hydrochloride

C₁₀H₁₀BrN₃