2-Acetyl-4-nitroindan-1,3-dione

Base Information

• Chemical Name: 2-Acetyl-4-nitroindan-1,3-dione
• CAS No.: 25125-04-6
• Molecular Formula: C₁₁H₇NO₅
• Molecular Weight: 233.18
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30370647
• Mol file: 25125-04-6.mol

Synonyms:25125-04-6;2-Acetyl-4-nitroindan-1,3-dione;2-Acetyl-4-nitro-1,3-indanedione;2-acetyl-4-nitroindene-1,3-dione;2-Acetyl-4-nitro-1H-indene-1,3(2H)-dione;2-Acetyl-4-nitroindane-1,3-dione;Maybridge1_004125;SCHEMBL6383602;HMS553D13;DTXSID30370647;OSZUSQXEYYPINX-UHFFFAOYSA-N;2-acetyl-4-nitroindane-1,3-dion;2-Acetyl-4-nitro 1,3-indanedione;CCG-42212;MFCD00728684;2-ethanoyl-4-nitro-indene-1,3-dione;AKOS025294998;PS-10429;2-Acetyl-4-nitro-1,3-indanedione, 97%;CS-0450135;FT-0610958;A817658;J-015821;SR-01000632227-1

Chemical Property of 2-Acetyl-4-nitroindan-1,3-dione

Chemical Property:

• Vapor Pressure: 3.61E-09mmHg at 25°C
• Melting Point: 145-148 °C(lit.)
• Refractive Index: 1.621
• Boiling Point: 474.5°Cat760mmHg
• Flash Point: 252.5°C
• PSA: 97.03000
• Density: 1.508g/cm³
• LogP: 1.70220
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 233.03242232
• Heavy Atom Count: 17
• Complexity: 411

Purity/Quality:

97% ^*data from raw suppliers

2-Acetyl-4-nitroindane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Technology Process of 2-Acetyl-4-nitroindan-1,3-dione

There total 4 articles about 2-Acetyl-4-nitroindan-1,3-dione 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: 80.0%

3-nitrophthalic acid anhydride (641-70-3) + acetylacetone (123-54-6,81235-32-7) → 2-Acetyl-4-nitro 1,3-indanedione (25125-04-6)

Guidance literature:

With acetic anhydride; triethylamine; at 25 ℃; for 0.5h;

DOI:10.1021/jm0201722

Reference yield: 79.0%

piperidine (110-89-4) + acetylacetone (123-54-6,81235-32-7) → 2-Acetyl-4-nitro 1,3-indanedione (25125-04-6)

Guidance literature:

With pyridine; hydrogenchloride;

Reference yield:

3-nitrophthalic acid (603-11-2) + acetylacetone (123-54-6,81235-32-7) → 2-Acetyl-4-nitro 1,3-indanedione (25125-04-6)

Guidance literature:

With hydrogenchloride; In pyridine;

upstream raw materials:

3-nitrophthalic acid anhydride

acetylacetone

piperidine

3-nitrophthalic acid

Downstream raw materials:

3-methyl-8-aminoindeno[1,2-c]pyrazol-4-one