1-(6-Nitro-3,4-dihydroquinolin-1(2H)-YL)ethanone

Base Information

• Chemical Name: 1-(6-Nitro-3,4-dihydroquinolin-1(2H)-YL)ethanone
• CAS No.: 14026-46-1
• Molecular Formula: C₁₁H₁₂N₂O₃
• Molecular Weight: 220.228
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60401519
• Nikkaji Number: J2.935.093K
• Wikidata: Q82204673
• Mol file: 14026-46-1.mol

Synonyms:14026-46-1;1-(6-NITRO-3,4-DIHYDROQUINOLIN-1(2H)-YL)ETHANONE;1-acetyl-6-nitro-1,2,3,4-tetrahydroquinoline;1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(6-Nitro-3,4-dihydro-2H-quinolin-1-yl)-ethanone;Oprea1_431673;DTXSID60401519;MFCD01463983;AKOS003395083;BS-44262;CS-0324384;G11888;A807637;AE-562/12222836;1-(6-Nitro-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one;Ethanone, 1-(3,4-dihydro-6-nitro-1(2H)-quinolinyl)-

Chemical Property of 1-(6-Nitro-3,4-dihydroquinolin-1(2H)-YL)ethanone

Chemical Property:

• PSA: 66.13000
• LogP: 2.48210
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

1-(6-Nitro-3,4-dihydroquinolin-1(2H)-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCC2=C1C=CC(=C2)[N+](=O)[O-]

Technology Process of 1-(6-Nitro-3,4-dihydroquinolin-1(2H)-YL)ethanone

There total 6 articles about 1-(6-Nitro-3,4-dihydroquinolin-1(2H)-YL)ethanone 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: 91.0%

6-nitro-1,2,3,4-tetrahydroquinoline (14026-45-0) + acetyl chloride (75-36-5) → 1-(1,2,3,4-tetrahydro-6-nitroquinolinyl)ethanone (14026-46-1)

Guidance literature:

6-nitro-1,2,3,4-tetrahydroquinoline; With sodium hydride; In dichloromethane; mineral oil; for 0.5h; Inert atmosphere;

acetyl chloride; In dichloromethane; mineral oil; at 30 ℃; for 48h; Inert atmosphere;

DOI:10.1021/jo400398y

Reference yield: 85.0%

1-acetyl-1,2,3,4-tetrahydroquinoline (4169-19-1) → 1-(1,2,3,4-tetrahydro-6-nitroquinolinyl)ethanone (14026-46-1)

Guidance literature:

With dipotassium peroxodisulfate; copper(II) nitrate trihydrate; trifluoroacetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 2.5h; Reagent/catalyst;

DOI:10.1039/c7cc06267b

Reference yield: 81.0%

1-acetyl-1,2,3,4-tetrahydroquinoline (4169-19-1) → N-acetyl-8-nitro-1,2,3,4-tetrahydroquinoline (1290608-24-0) + 1-(1,2,3,4-tetrahydro-6-nitroquinolinyl)ethanone (14026-46-1)

Guidance literature:

With Iron(III) nitrate nonahydrate; In acetonitrile; at 60 ℃; for 5h; Overall yield = 96 %; Overall yield = 63.4 mg; regioselective reaction;

DOI:10.1021/acs.joc.9b00598

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

1-acetyl-1,2,3,4-tetrahydroquinoline

6-nitro-1,2,3,4-tetrahydroquinoline

acetyl chloride

Downstream raw materials:

6-nitro-1,2,3,4-tetrahydroquinoline

1-(6-amino-3,4-dihydroquinolin-1(2H)-yl)ethanone

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