1H-inden-1-one

Base Information

• Chemical Name: 1H-inden-1-one
• CAS No.: 480-90-0
• Molecular Formula: C9H6O
• Molecular Weight: 130.146
• Hs Code.: 2914700090
• European Community (EC) Number: 801-538-6
• UNII: B65N387LDP
• DSSTox Substance ID: DTXSID80473374
• Nikkaji Number: J247.743B
• Wikidata: Q25099979
• Wikipedia: Indenone
• Mol file: 480-90-0.mol

Synonyms:1H-inden-1-one;480-90-0;Inden-1-one;indenone;indone;B65N387LDP;indene-1-one;UNII-B65N387LDP;SCHEMBL2627989;DTXSID80473374;SNWQUNCRDLUDEX-UHFFFAOYSA-N;MFCD09836158;AKOS006326449;AS-49987;CS-0197246;FT-0645605;O10409

Chemical Property of 1H-inden-1-one

Chemical Property:

• Vapor Pressure: 0.0176mmHg at 25°C
• Melting Point: 0 °C
• Refractive Index: 1.622
• Boiling Point: 254.1 °C at 760 mmHg
• Flash Point: 105.3 °C
• PSA: 17.07000
• Density: 1.201 g/cm³
• LogP: 1.89610
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 130.041864811
• Heavy Atom Count: 10
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

1H-Inden-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC2=O

Technology Process of 1H-inden-1-one

There total 51 articles about 1H-inden-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: 96.6%

2-indenone ethylene ketal (6710-43-6) → 1H-inden-1-one (480-90-0)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; water; for 6h; Ambient temperature;

DOI:10.1021/ja00530a039

Reference yield: 94.0%

inden-1-one (83-33-0) → 1H-inden-1-one (480-90-0) + 3-Bromoindan-1-one (40774-41-2)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 0.216667h; Flow reactor; Irradiation; Large scale;

DOI:10.1021/jo402409k

Reference yield: 93.0%

3-Hydroxyindene (61463-21-6,109380-06-5,109431-69-8,112836-60-9,56631-57-3) → 1H-inden-1-one (480-90-0)

Guidance literature:

With chloro{bis-N,N'-(salicylaldehyde)ethylenediiminato}chromium(III); [bis(acetoxy)iodo]benzene; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/ol000142y

upstream raw materials:

3-Hydroxyindene

3-Bromoindan-1-one

inden-1-yl hydroperoxide

1-indene

Downstream raw materials:

2,3-dibromo-indan-1-one

3,4-benzo-6,6-dimethylbicyclo<3.1.0>hex-3-en-2-one

Inden-(1E)-ylidene-(2,4,6-tri-tert-butyl-phenyl)-phosphane

trans-2-bromo-3-chloroindanone

Refernces

A facile approach to the construction of 1H-inden-1-one

10.1055/s-2005-923587

The study focused on developing a facile method to construct 1H-inden-1-one, a structural motif commonly found in many natural products with pharmacological properties such as cytotoxicity, anti-HIV and antibacterial activities. The aim of the study was to construct multiple chiral centers in one step using the intramolecular Heck reaction. The researchers unexpectedly found that when compound 1 was treated with a catalytic amount of Pd(OAc)2 in the presence of air, only the oxidation product 1H-inden-1-one 2 was obtained. The reaction was found to involve an intramolecular Heck reaction followed by air oxidation of the allylic alcohol. The optimal reaction conditions were determined to be 24 h at 80°C, using 5 mol% Pd(OAc)2 and 15 mol% PPh3, DMF as solvent, and K2CO3 as base. The study concluded that this new method can be used to construct indenone/indanone skeletons, which are important motifs in the synthesis of natural products. The chemicals used in the process include 1-(2-bromoaryl)prop-2-en-1-ol as substrate, Pd(OAc)2 as palladium catalyst, PPh3 as ligand, K2CO3 as base, and DMF as solvent.

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