1-Acenaphthenone

Base Information

• Chemical Name: 1-Acenaphthenone
• CAS No.: 2235-15-6
• Molecular Formula: C12H8O
• Molecular Weight: 168.195
• Hs Code.: 2914399090
• European Community (EC) Number: 878-480-3
• NSC Number: 22341,18756
• UNII: 81QD8CCK3V
• DSSTox Substance ID: DTXSID50176885
• Nikkaji Number: J54.035H
• Wikidata: Q72433954
• ChEMBL ID: CHEMBL1528162
• Mol file: 2235-15-6.mol

Synonyms:1-Acenaphthenone;2235-15-6;acenaphthylen-1(2H)-one;Acenaphthenone;1(2H)-Acenaphthylenone;2H-acenaphthylen-1-one;2-Acenaphthenone;7-Acenaphthenone;acenaphthen-1-one;1,2-dihydroacenaphthylen-1-one;NSC 18756;NSC 22341;BRN 0972151;81QD8CCK3V;NSC-18756;NSC-22341;WLN: L566 1A L CV DHJ;1-acenaphthone;2-acenaphthone;acenaphthene-1-one;acenaphthylen-1-one;1-Ketoacenaphthalene;UNII-81QD8CCK3V;MLS000532679;SCHEMBL975376;1,2-dihydro-1-acenaphthylenone;CHEMBL1528162;DTXSID50176885;HMS1578C04;HMS2503I20;NSC18756;NSC22341;CCG-40838;MFCD00156651;AKOS000282785;LS-7861;NCGC00245706-01;AC-13698;AS-18863;SMR000140117;CS-0036480;FT-0600296;EN300-96921;A852905;SR-01000630951-1;W-201927;F2135-1149

Chemical Property of 1-Acenaphthenone

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Melting Point: 122 °C
• Refractive Index: 1.718
• Boiling Point: 337.118 °C at 760 mmHg
• Flash Point: 149.123 °C
• PSA: 17.07000
• Density: 1.28 g/cm³
• LogP: 2.57860
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.057514874
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

1-Acenaphthenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC3=C2C(=CC=C3)C1=O
• Uses: 1-Acenaphthenone is a product of the photolysis (and microbial metabolism) of acenaphthene, a polycyclic hydrocarbon that has potential to act as polyploidizing agents in plants.

Technology Process of 1-Acenaphthenone

There total 69 articles about 1-Acenaphthenone 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: 98.0%

acenaphthylene (208-96-8,25036-01-5) → 1(2H)-acenaphthylenone (2235-15-6)

Guidance literature:

With oxygen; isobutyraldehyde; In acetonitrile; at 60 ℃; for 3h;

DOI:10.1080/15421401003719829

Reference yield: 97.0%

1-acenaphthenol (6306-07-6) → 1(2H)-acenaphthylenone (2235-15-6)

Guidance literature:

With potassium dichromate; sulfuric acid; In diethyl ether; water; at 0 ℃; for 0.666667h;

DOI:10.1016/j.tetlet.2019.02.043

Reference yield: 84.0%

1-acenaphthenol (6306-07-6) → benzoic acid (65-85-0,8013-63-6) + 1(2H)-acenaphthylenone (2235-15-6)

Guidance literature:

With dibenzoyl peroxide; In dichloromethane; for 3h; Ambient temperature; Irradiation;

upstream raw materials:

2-acetylacenaphthenone

diethyl ether

acenaphthenequinone monoxime

1,2-dibromoacenaphthene

Downstream raw materials:

2-(2-oxo-acenaphthen-1-ylidene)-benzo[b]thiophen-3-one

2-((E)-4-methyl-benzyliden)-acenaphthen-1-one

2-(4-nitro-benzyliden)-acenaphthen-1-one

2-salicyliden-acenaphthen-1-one