3-Nitroquinolin-4-amine

Base Information

• Chemical Name: 3-Nitroquinolin-4-amine
• CAS No.: 42606-33-7
• Molecular Formula: C9H7N3O2
• Molecular Weight: 189.17
• Hs Code.: 29334900
• NSC Number: 131346
• DSSTox Substance ID: DTXSID60299559
• Nikkaji Number: J89.481H
• Wikidata: Q27453122
• Mol file: 42606-33-7.mol

Synonyms:3-nitroquinolin-4-amine;4-Amino-3-nitroquinoline;42606-33-7;3-nitro-4-aminoquinoline;3-Nitro-4-aminoquinoline;NSC 131346;NSC131346;4-Quinolinamine,3-nitro-;SCHEMBL202880;DTXSID60299559;SKPRPEJLFKCOAB-UHFFFAOYSA-N;CS-M2024;MFCD00666909;AKOS004903198;AB06714;NSC-131346;AS-58349;FT-0687993;4-butyl-[1,1:4,1-terphenyl]-4-carbonitrile;C12514;A825959;J-514372;Q27453122;2NB

Chemical Property of 3-Nitroquinolin-4-amine

Chemical Property:

• Vapor Pressure: 8.89E-07mmHg at 25°C
• Melting Point: 261-262ºC
• Refractive Index: 1.743
• Boiling Point: 405.3 °C at 760 mmHg
• PKA: 5.15±0.50(Predicted)
• Flash Point: 198.9 °C
• PSA: 84.73000
• Density: 1.445 g/cm³
• LogP: 2.82960
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-nitroquinolin-4-amine 95 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])N

Technology Process of 3-Nitroquinolin-4-amine

There total 14 articles about 3-Nitroquinolin-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: 100.0%

→ 3-nitro-4-aminoquinoline (42606-33-7)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane; ethyl acetate;

Reference yield: 97.0%

4-chloro-3-nitroquinoline (39061-97-7) → 3-nitro-4-aminoquinoline (42606-33-7)

Guidance literature:

With ammonia; In isopropyl alcohol; toluene;

DOI:10.1021/jm00107a046

Reference yield: 92.0%

3-nitroquinoline (17576-53-3) → 3-nitro-4-aminoquinoline (42606-33-7)

Guidance literature:

With potassium tert-butylate; N,N,N-trimethylhydrazinium iodide; In dimethyl sulfoxide; at 20 ℃; for 4h;

DOI:10.1002/jhet.5570450652

upstream raw materials:

3-nitroquinoline

4-chloro-3-nitroquinoline

ammonium acetate

3-amino-4-chloroquinoleine

Downstream raw materials:

2-cyclohexyl-1H-imidazo[4,5-c]quinoline

2-cyclohexyl-1H-imidazo[4,5-c]quinoline 5-oxide

4-chloro-2-cyclohexyl-1H-imidazo[4,5-c]quinoline

Refernces

• 1、 -. "CONJUGATED TLR7 AND/OR TLR8 AND TLR2 AGONISTS". Page/Page column. . Retrieved 2015/07/22.
• 2、 Szpakiewicz, Barbara,Grzegozek, Maria. "Vicarious nucleophilic amination of Nitroquinolines with 4-amino-1,2,4-triazole". . p. 682 - 685. Retrieved 2008/09/21.