3-Methylquinolin-4-amine

Base Information

• Chemical Name: 3-Methylquinolin-4-amine
• CAS No.: 19701-33-8
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.203
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10355836
• Nikkaji Number: J82.890D
• Wikidata: Q82134902
• ChEMBL ID: CHEMBL4569418
• Mol file: 19701-33-8.mol

Synonyms:3-methylquinolin-4-amine;19701-33-8;3-methylquinolin-4-ylamine;4-amino 3-methyl quinoline;4-Amino-3-methyl-quinoline;SCHEMBL2519637;CHEMBL4569418;DTXSID10355836;AKOS006279268;SB67819;FT-0692242;EN300-126795;AC-907/30063017;Z1601555079;7W1

Chemical Property of 3-Methylquinolin-4-amine

Chemical Property:

• Vapor Pressure: 8.49E-05mmHg at 25°C
• Refractive Index: 1.681
• Boiling Point: 340.6°Cat760mmHg
• Flash Point: 186.5°C
• PSA: 38.91000
• Density: 1.169g/cm³
• LogP: 2.70660
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

98.5% ^*data from raw suppliers

4-Amino-3-methyl-quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N=C1)N

Technology Process of 3-Methylquinolin-4-amine

There total 3 articles about 3-Methylquinolin-4-amine 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: 82.0%

3-methyl-4-nitroquinoline N-oxide (14073-00-8) → 4-amino-3-methyl quinoline (19701-33-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 3h; under 2280 Torr;

DOI:10.1021/jm049061o

Reference yield:

3-methylquinoline (612-58-8) → 4-amino-3-methyl quinoline (19701-33-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 53 percent / peracetic acid; acetic acid / 5 h / 80 - 90 °C

2: 70 percent / HNO₃; H₂SO₄ / 3 h / 100 °C

3: 82 percent / H₂ / Pd/C / methanol / 3 h / 2280 Torr

With peracetic acid; sulfuric acid; hydrogen; nitric acid; acetic acid; palladium on activated charcoal; In methanol;

DOI:10.1021/jm049061o

Reference yield:

3-methylquinoline N-oxide (1873-55-8) → 4-amino-3-methyl quinoline (19701-33-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / HNO₃; H₂SO₄ / 3 h / 100 °C

2: 82 percent / H₂ / Pd/C / methanol / 3 h / 2280 Torr

With sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In methanol;

DOI:10.1021/jm049061o

upstream raw materials:

3-methyl-4-nitroquinoline N-oxide

3-methylquinoline

3-methylquinoline N-oxide