3-Methyl-5-nitroquinoline

Base Information

• Chemical Name: 3-Methyl-5-nitroquinoline
• CAS No.: 103754-53-6
• Molecular Formula: C10H8 N2 O2
• Molecular Weight: 188.18
• Hs Code.: 2933499090
• NSC Number: 137125
• DSSTox Substance ID: DTXSID90300465
• Wikidata: Q82043534
• Mol file: 103754-53-6.mol

Synonyms:3-methyl-5-nitroquinoline;103754-53-6;NSC137125;SCHEMBL4716579;DTXSID90300465;MFCD00274169;NSC-137125;SB67772;AS-58420;CS-0161117;FT-0745733;D82788

Chemical Property of 3-Methyl-5-nitroquinoline

Chemical Property:

• PSA: 58.71000
• LogP: 2.97460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• 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

3-Methyl-5-nitroquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=CC=C2[N+](=O)[O-])N=C1

Technology Process of 3-Methyl-5-nitroquinoline

There total 1 articles about 3-Methyl-5-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:

3-methylquinoline (612-58-8) → 3-methyl-5-nitroquinoline (103754-53-6) + 3-methyl-8-nitroquinoline (2801-32-3)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/jo01096a031

Reference yield:

3-methyl-5-nitroquinoline (103754-53-6) → 3-methyl-5-(4-tosyl-piperazin-1-yl)-1,2,3,4-tetrahydroquinoline (870064-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pt/C / ethanol / 6 h / 40 °C / 3040 Torr

2: 16.6 g / DIPEA / 4 h / 140 °C

With hydrogen; N-ethyl-N,N-diisopropylamine; platinum on activated charcoal; In ethanol;

DOI:10.1021/jm050148z

Reference yield:

3-methyl-5-nitroquinoline (103754-53-6) → 5-nitro-[3]quinolylamine (98589-84-5)

Guidance literature:

Multi-step reaction with 5 steps

1: CrO₃; MnO₂; aqueous H₂SO₄

2: SOCl₂ / Behandeln des Reaktionsprodukts mit wss. NaN₃ in Aceton

4: aqueous HCl / Erwaermen des Reaktionsprodukts mit Acetanhydrid in Benzol

5: aqueous HCl

With chromium(VI) oxide; hydrogenchloride; manganese(IV) oxide; thionyl chloride; sulfuric acid;

DOI:10.1021/jo01096a031

upstream raw materials:

3-methylquinoline

Downstream raw materials:

3-methyl-5-(4-tosyl-piperazin-1-yl)-1,2,3,4-tetrahydroquinoline

5-nitro-[3]quinolylamine

Refernces