3-Ethyl-2-phenyl-1h-inden-1-one

Base Information

• Chemical Name: 3-Ethyl-2-phenyl-1h-inden-1-one
• CAS No.: 13304-50-2
• Molecular Formula: C17H14 O
• Molecular Weight: 234.298
• NSC Number: 84284
• DSSTox Substance ID: DTXSID10292636
• Wikidata: Q82031022
• ChEMBL ID: CHEMBL4085016

Synonyms:13304-50-2;3-ethyl-2-phenyl-1h-inden-1-one;3-Ethyl-2-phenyl-inden-1-one;NSC84284;CHEMBL4085016;DTXSID10292636;NSC-84284

Chemical Property of 3-Ethyl-2-phenyl-1h-inden-1-one

Chemical Property:

• Vapor Pressure: 2.2E-06mmHg at 25°C
• Boiling Point: 393°Cat760mmHg
• Flash Point: 172.8°C
• Density: 1.137g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.104465066
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Technology Process of 3-Ethyl-2-phenyl-1h-inden-1-one

There total 10 articles about 3-Ethyl-2-phenyl-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: 85.0%

1-[2-(2-phenylethynyl)phenyl]propan-1-one → 3-ethyl-2-phenyl-1H-inden-1-one (13304-50-2)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; acetonitrile; at 30 ℃; for 24h; Sealed tube;

DOI:10.1039/c7ra05487d

Reference yield:

o-(phenylethynyl)benzaldehyde (59046-72-9) + isopropyltriphenylphosphonium bromide (1530-33-2) → 1-(2-methylprop-1-en-1-yl)-2-(phenylethynyl)benzene (59046-69-4) + C23H20N2 + C22H18N2O + dibenzyl (2,3-diphenyl-1,2-dihydroisoquinolin-1-yl)phosphonate + 3-ethyl-2-phenyl-1H-inden-1-one (13304-50-2) + C23H20N2

Guidance literature:

Multistep reaction; (i) nBuLi, hexane, THF, (ii) /BRN= 2329009/;

Reference yield:

phenindione (83-12-5) → 3-ethyl-2-phenyl-1H-inden-1-one (13304-50-2)

Guidance literature:

With etheric ethyl magnesium halide solution; benzene;

DOI:10.1021/ja01229a001

upstream raw materials:

phenindione

2,3-diphenyl-pent-2t-enenitrile

3-ethyl-3-hydroxy-2-phenyl-indan-1-one

Isoaurone

Downstream raw materials:

3-ethyl-3-benzoyloxy-phthalide

2-Propionyl-benzil

2,3-Dinitro-3-ethyl-2-phenyl-hydrinden-1-on

3-ethyl-2-(4-nitro-phenyl)-inden-1-one

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