6-Methyl-5-nitroquinoline

Base Information

• Chemical Name: 6-Methyl-5-nitroquinoline
• CAS No.: 23141-61-9
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.186
• Hs Code.: 2933499090
• European Community (EC) Number: 245-447-4
• NSC Number: 162892
• DSSTox Substance ID: DTXSID50177716
• Nikkaji Number: J318.411K
• ChEMBL ID: CHEMBL1330976
• Mol file: 23141-61-9.mol

Synonyms:6-Methyl-5-nitroquinoline;23141-61-9;5-Nitro-6-methylquinoline;Quinoline, 6-methyl-5-nitro-;EINECS 245-447-4;MFCD00024021;NSC 162892;Quinoline,6-methyl-5-nitro-;NSC162892;Maybridge1_002137;5-nitro-6-met hylquinoline;5-Nitro-6-methyl quinoline;Oprea1_472531;MLS000584303;SCHEMBL1982991;CHEMBL1330976;HMS547J03;DTXSID50177716;6-Methyl-5-nitroquinoline, 97%;HMS2603K23;STR02499;YAA14161;STK028228;AKOS001611421;NSC-162892;SB67464;NCGC00245837-01;SMR000203466;SY041579;CS-0043038;FT-0621227;F13926;SR-01000403998;SR-01000403998-1;W-206813

Chemical Property of 6-Methyl-5-nitroquinoline

Chemical Property:

• Vapor Pressure: 0.00015mmHg at 25°C
• Melting Point: 118 °C
• Refractive Index: 1.661
• Boiling Point: 330.5 °C at 760 mmHg
• PKA: 3.04±0.15(Predicted)
• Flash Point: 153.7 °C
• PSA: 58.71000
• Density: 1.298 g/cm³
• LogP: 2.97460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• 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% HPLC ^*data from raw suppliers

6-Methyl-5-nitroquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 68-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]
• Uses: 6-Methyl-5-nitroquinoline is a starter for fused indoles.1 Starter for fused indoles.

Technology Process of 6-Methyl-5-nitroquinoline

There total 3 articles about 6-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: 1.57%

2-(5-nitroquinolin-6-yl)acetic acid (1050267-77-0) → 6-methyl-5-nitroquinoline (23141-61-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 60 ℃; for 25h;

DOI:10.1021/jo801131z

Reference yield:

6-methylquinoline (91-62-3) → 6-methyl-5-nitroquinoline (23141-61-9)

Guidance literature:

durch Nitrierung;

Reference yield:

6-methylquinoline (91-62-3) → 6-methyl-5-nitroquinoline (23141-61-9)

Guidance literature:

upstream raw materials:

6-methylquinoline

2-(5-nitroquinolin-6-yl)acetic acid

Downstream raw materials:

6-methyl-quinolin-5-ol

1H-pyrrolo[2,3-f]quinoline

5-amino-6-methylquinoline

Refernces

• 1、 -. "Hetaroyl cyclohexanedione derivatives with herbicidal effect". . . Retrieved 2008/06/13.