2-Amino-1H-phenalen-1-one

Base Information

• Chemical Name: 2-Amino-1H-phenalen-1-one
• CAS No.: 55077-97-9
• Molecular Formula: C13H9NO
• Molecular Weight: 195.221
• ChEMBL ID: CHEMBL4160623
• DSSTox Substance ID: DTXSID00515184
• Nikkaji Number: J1.307.499B
• Wikidata: Q82375942
• Mol file: 55077-97-9.mol

Synonyms:2-AMINO-1H-PHENALEN-1-ONE;aminophenalenone;55077-97-9;CHEMBL4160623;DTXSID00515184

Chemical Property of 2-Amino-1H-phenalen-1-one

Chemical Property:

• Melting Point: 127-128 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 410.4±45.0 °C(Predicted)
• PSA: 43.09000
• Density: 1.319±0.06 g/cm3(Predicted)
• LogP: 3.03600
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.068413911
• Heavy Atom Count: 15
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=C(C(=O)C3=CC=C2)N

Technology Process of 2-Amino-1H-phenalen-1-one

There total 1 articles about 2-Amino-1H-phenalen-1-one 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:

Perinaphthenon (548-39-0) → 2-amino-1H-phenalen-1-one (55077-97-9) + 6-amino-1H-phenalen-1-one (70402-14-1) + 5-aminophenalenone (73693-20-6)

Guidance literature:

Perinaphthenon; With sulfuric acid; nitric acid; at 0 - 20 ℃; for 3h;

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2017.10.032

Reference yield:

2-amino-1H-phenalen-1-one (55077-97-9) → Perinaphthenon (548-39-0)

Guidance literature:

With sodium hypophosphite; sulfuric acid; sodium nitrite; Yield given. Multistep reaction; 1) CH₃COOH, 20 deg. C, 10 min; 2) water, 30 min;

Reference yield:

2-amino-1H-phenalen-1-one (55077-97-9) → 4-nitronaphthalic-1,8-anhydride (6642-29-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / acetic acid / 2 h / Ambient temperature

2: 87 percent / conc. H₂SO₄, HNO₃ / 2 h / 1.) 0 to 2 deg C, 1 h, 2.) room temp., 1 h.

3: 78 percent / sodium bichromate / acetic acid / 10 h / Heating

With sodium dichromate; sulfuric acid; nitric acid; In acetic acid;

upstream raw materials:

Perinaphthenon

Downstream raw materials:

Perinaphthenon

2-bromo-1H-phenalen-1-one

4-nitronaphthalic-1,8-anhydride

Refernces