7-Nitro-2-tetralone

Base Information

• Chemical Name: 7-Nitro-2-tetralone
• CAS No.: 122520-12-1
• Molecular Formula: C10H9 N O3
• Molecular Weight: 191.186
• DSSTox Substance ID: DTXSID50462255
• Nikkaji Number: J926.419A
• Wikidata: Q72496292
• Mol file: 122520-12-1.mol

Synonyms:7-Nitro-2-tetralone;122520-12-1;7-nitro-3,4-dihydro-1H-naphthalen-2-one;7-Nitro-3,4-dihydronaphthalen-2(1H)-one;2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-7-NITRO-;7-nitrotetralin-2-one;starbld0016523;SCHEMBL1870205;DTXSID50462255;BIZFHQDZRNKNAU-UHFFFAOYSA-N;AKOS006295650;AB28740;7-nitro-3,4-dihydro-2(1h)-naphthalenone;7-Nitro-3,4-dihydro-2(1H)-naphthaleneone;7-Nitro-3,4dihydro-2-(1H)-naphthaleneone;FT-0658859;A804910;7-NITRO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE

Chemical Property of 7-Nitro-2-tetralone

Chemical Property:

• Vapor Pressure: 2.82E-05mmHg at 25°C
• Melting Point: 105 °C(Solv: ethanol (64-17-5))
• Boiling Point: 357°C at 760 mmHg
• Flash Point: 180.7°C
• PSA: 62.89000
• Density: 1.322g/cm³
• LogP: 2.17580
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

98%Min ^*data from raw suppliers

7-NITRO-2-TETRALONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(CC1=O)C=C(C=C2)[N+](=O)[O-]

Technology Process of 7-Nitro-2-tetralone

There total 10 articles about 7-Nitro-2-tetralone 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: 83.0%

1,2-epoxy-7-nitro-1,2,3,4-tetrahydronaphthalene (122520-11-0) → 7-Nitro-3,4-dihydro-2(1H)-naphthaleneone (122520-12-1)

Guidance literature:

With zinc(II) iodide; In benzene; for 15h; Ambient temperature;

DOI:10.1021/jm00129a017

Reference yield: 34.0%

1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → 7-Nitro-3,4-dihydro-2(1H)-naphthaleneone (122520-12-1)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 3 ℃; for 2h;

Reference yield: 27.0%

1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → 7-Nitro-3,4-dihydro-2(1H)-naphthaleneone (122520-12-1) + 6-nitro-2-tetralone (200864-16-0)

Guidance literature:

With nitric acid; at -30 ℃; for 0.133333h;

DOI:10.1021/ja972600c

upstream raw materials:

1,2-epoxy-7-nitro-1,2,3,4-tetrahydronaphthalene

1,2,3,4-tetrahydronaphthalen-2-one

7-nitro-3,4-dihydro-2H-naphthalen-1-one

7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol

Downstream raw materials:

1-(2'-Nitro-4',5'-dimethoxybenzylidene)-7-nitro-2-tetralone

7-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-nitro-1,2,3,4-tetrahydro-[2]naphthylamine

(S)-1-(3,4-Dihydro-7-nitro-2-naphthyl)-2-(methoxymethyl)pyrrolidin

Refernces

• 1、 Yao,Pollack. "Electronic effects on enol acidity and keto-enol equilibrium constants for ring-substituted 2-tetralones". . p. 634 - 638. Retrieved 1999.
• 2、 -. "2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors". Page/Page column 105. . Retrieved 2008/06/13.
• 3、 -. "INHIBITORS OF CHECKPOINT KINASES". Page/Page column 43-44. . Retrieved 2008/06/13.