4-Chloro-2,5,7-trimethylquinoline

Base Information

• Chemical Name: 4-Chloro-2,5,7-trimethylquinoline
• CAS No.: 63136-64-1
• Molecular Formula: C₁₂H₁₂ClN
• Molecular Weight: 205.687
• Hs Code.: 2933499090
• European Community (EC) Number: 809-409-6
• DSSTox Substance ID: DTXSID40489638
• Wikidata: Q82333035
• Mol file: 63136-64-1.mol

Synonyms:4-Chloro-2,5,7-trimethylquinoline;63136-64-1;SCHEMBL8686911;DTXSID40489638;MFCD09787729;AB52093;4-Chloro-2,5,7-trimethylquinoline, AldrichCPR

Chemical Property of 4-Chloro-2,5,7-trimethylquinoline

Chemical Property:

• Vapor Pressure: 0.00155mmHg at 25°C
• Boiling Point: 304.7oC at 760 mmHg
• PKA: 5.12±0.50(Predicted)
• Flash Point: 166.7oC
• PSA: 12.89000
• Density: 1.158g/cm3
• LogP: 3.81340
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 205.0658271
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-2,5,7-trimethylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)N=C(C=C2Cl)C)C

Technology Process of 4-Chloro-2,5,7-trimethylquinoline

There total 2 articles about 4-Chloro-2,5,7-trimethylquinoline 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:

2,5,7-trimethyl-quinolin-4-ol (65674-07-9) → 4-chloro-2,5,7-trimethyl-quinoline (63136-64-1)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/jr9380000972

Reference yield:

3,5-dimethylaminoaniline (108-69-0) → 4-chloro-2,5,7-trimethyl-quinoline (63136-64-1)

Guidance literature:

Multi-step reaction with 2 steps

2: phosphoryl chloride

With trichlorophosphate;

DOI:10.1039/jr9380000972

Reference yield:

4-chloro-2,5,7-trimethyl-quinoline (63136-64-1) → 3,5-dimethyl-2-(5-methyl-1(2)H-pyrazol-3-yl)-aniline + 2,5,7,2',5',7'-hexamethyl-[4,4']azoquinoline

Guidance literature:

With hydrazine hydrate; at 170 ℃;

DOI:10.1039/jr9380000972

upstream raw materials:

2,5,7-trimethyl-quinolin-4-ol

3,5-dimethylaminoaniline

Downstream raw materials:

2,5,7-trimethyl-[4]quinolylamine

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