3,4-Dimethyl-8-nitroquinoline

Base Information

• Chemical Name: 3,4-Dimethyl-8-nitroquinoline
• CAS No.: 1531-20-0
• Molecular Formula: C11H10 N2 O2
• Molecular Weight: 202.213
• Hs Code.: 2933499090
• European Community (EC) Number: 216-239-0
• DSSTox Substance ID: DTXSID3061760
• Nikkaji Number: J206.751J
• Wikidata: Q81989651
• Mol file: 1531-20-0.mol

Synonyms:3,4-Dimethyl-8-nitroquinoline;1531-20-0;EINECS 216-239-0;Quinoline, 3,4-dimethyl-8-nitro-;DTXSID3061760

Chemical Property of 3,4-Dimethyl-8-nitroquinoline

Chemical Property:

• Vapor Pressure: 4.25E-05mmHg at 25°C
• Melting Point: 152-155 °C
• Boiling Point: 361.6°Cat760mmHg
• PKA: 2.04±0.41(Predicted)
• Flash Point: 172.5°C
• PSA: 58.71000
• Density: 1.254g/cm³
• LogP: 3.28300
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C2C(=C1C)C=CC=C2[N+](=O)[O-]

Technology Process of 3,4-Dimethyl-8-nitroquinoline

There total 2 articles about 3,4-Dimethyl-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-hydroxy-3-methyl-2-butanone (3393-64-4,497922-30-2) + 2-nitro-aniline (88-74-4) → 3,4-dimethyl-8-nitro-quinoline (1531-20-0)

Guidance literature:

With arsenic(V) oxide; sulfuric acid;

DOI:10.1021/ja01173a085

Reference yield:

→ 3,4-dimethyl-8-nitro-quinoline (1531-20-0)

Guidance literature:

2-Nitroanilin, 1)4-Hydroxy-3-methyl-butanon-(4), 80percent H3AsO4,Erhitzen auf 70grad, 2) Erhitzen auf Siedetemp.;

Reference yield:

3,4-dimethyl-8-nitro-quinoline (1531-20-0) → 3,4-dimethyl-[8]quinolylamine (3393-72-4)

Guidance literature:

With ethanol; tin(ll) chloride;

DOI:10.1021/ja01173a085

upstream raw materials:

4-hydroxy-3-methyl-2-butanone

2-nitro-aniline

Downstream raw materials:

3,4-dimethyl-[8]quinolylamine

3,4,7,8-Tetramethyl-o-phenanthrolin