4-Methyl-8-nitroquinoline

Base Information

• Chemical Name: 4-Methyl-8-nitroquinoline
• CAS No.: 2801-29-8
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.186
• Hs Code.: 2933499090
• NSC Number: 120755
• DSSTox Substance ID: DTXSID9062649
• Nikkaji Number: J421.638E
• Wikidata: Q81990171
• ChEMBL ID: CHEMBL2358273
• Mol file: 2801-29-8.mol

Synonyms:4-Methyl-8-nitroquinoline;2801-29-8;8-nitro-4-methylquinoline;Lepidine, 8-nitro-;Quinoline, 4-methyl-8-nitro-;4-Methyl-8-nitro-Quinoline;NSC 120755;Quinoline,4-methyl-8-nitro-;NSC120755;Cambridge id 5215252;Oprea1_645221;SCHEMBL4642926;CHEMBL2358273;DTXSID9062649;CAA80129;MFCD00234625;STK098790;AKOS000271598;NSC-120755;NCGC00184205-01;NCGC00184205-02;BS-52236;CS-0152932;FT-0692544;A18566;D84260;AB01321043-02;AC-907/25005016;SR-01000398097;SR-01000398097-1

Chemical Property of 4-Methyl-8-nitroquinoline

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Melting Point: 125-126 °C
• Refractive Index: 1.661
• Boiling Point: 340.8 °C at 760 mmHg
• PKA: 1.87±0.30(Predicted)
• Flash Point: 159.9 °C
• PSA: 58.71000
• Density: 1.298 g/cm³
• LogP: 2.97460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

4-Methyl-8-nitroquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC=C(C2=NC=C1)[N+](=O)[O-]

Technology Process of 4-Methyl-8-nitroquinoline

There total 2 articles about 4-Methyl-8-nitroquinoline 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:

4-chlorobutyraldehyde (6139-84-0) + 2-nitro-aniline (88-74-4) → 4,7-Dimethyl-1,10-phenanthroline (3248-05-3) + 4-methyl-8-nitroquinoline (2801-29-8)

Guidance literature:

With hydrogenchloride; ethanol; iron(III) chloride;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 4-chloro-2-butanone (6322-49-2) + iron(III) chloride (7705-08-0) + 2-nitro-aniline (88-74-4) → 4,7-Dimethyl-1,10-phenanthroline (3248-05-3) + 4-methyl-8-nitroquinoline (2801-29-8)

Guidance literature:

Reference yield: 98.0%

4-methyl-8-nitroquinoline (2801-29-8) → 4-methyl-8-aminoquinoline (62748-01-0)

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; for 0.5h;

DOI:10.1080/00397919908085754

upstream raw materials:

4-chlorobutyraldehyde

2-nitro-aniline

hydrogenchloride

4-chloro-2-butanone

Downstream raw materials:

4-methyl-8-aminoquinoline

8-nitroquinoline-4-carboxaldehyde

4-methyl-7-anisyl-1,10-phenanthroline

((C₁₂H₆N₂C₆H₄OCH₃)CH₂CH₂)2C₆H₄