2-Ethyl-1-indanone

Base Information

• Chemical Name: 2-Ethyl-1-indanone
• CAS No.: 22351-56-0
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• UNII: HTV5B1U3CV
• DSSTox Substance ID: DTXSID70408019
• Nikkaji Number: J881.612C
• Mol file: 22351-56-0.mol

Synonyms:2-Ethyl-1-indanone;22351-56-0;2-Ethyl-2,3-dihydro-1H-inden-1-one;2-ethyl-2,3-dihydroinden-1-one;Ethyl-1-indanone;HTV5B1U3CV;Ethyl-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one, 2,3-dihydro-ethyl-;ethylin danone;2-ethylindan-1-one;2-Ethyl-indan-1-one;1H-Inden-1-one,2-ethyl-2,3-dihydro-;UNII-HTV5B1U3CV;2-Ethyl-1-indanone, 97%;SCHEMBL866816;DTXSID70408019;GIUDGQPFOOPWIQ-UHFFFAOYSA-N;MFCD00799537;AKOS009157047;CS-W016159;3,5-difluoro-biphenyl-4-carboxylicacid;AS-81327;FT-0658245;(+/-)-2-ethyl-2,3-dihydro-1H-inden-1-one;A816135;J-014662

Chemical Property of 2-Ethyl-1-indanone

Chemical Property:

• Appearance/Colour: light yellow oil
• Vapor Pressure: 0.0159mmHg at 25°C
• Refractive Index: n20/D 1.545(lit.)
• Boiling Point: 255.9 °C at 760 mmHg
• Flash Point: 103.3 °C
• PSA: 17.07000
• Density: 1.049g/cm³
• LogP: 2.45160
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1CC2=CC=CC=C2C1=O

Technology Process of 2-Ethyl-1-indanone

There total 5 articles about 2-Ethyl-1-indanone 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: 75.0%

(E)-1-(but-2-en-1-yl)-2-iodobenzene + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → 2-methyl-1-tetralone (1590-08-5) + 2-ethyl-indan-1-one (22351-56-0) + (Z)-2-Ethylidenindan-1-on (38950-68-4)

Guidance literature:

With water; In N,N-dimethyl-formamide; at 160 ℃;

DOI:10.1055/s-2007-973858

Reference yield: 71.0%

ethene (74-85-1) + inden-1-one (83-33-0) → 2-ethyl-indan-1-one (22351-56-0) + 5,6,8,9-tetrahydrobenzo[7]annulen-7-one (37949-03-4)

Guidance literature:

With 3-methylpyridin-2-ylamine; chlorobis(ethylene)rhodium(I) dimer; water; toluene-4-sulfonic acid; 1,3-bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene; In tetrahydrofuran; at 150 ℃; for 72h; under 5171.62 Torr; Reagent/catalyst; Solvent; Pressure; chemoselective reaction;

DOI:10.1021/jacs.9b07445

Reference yield: 69.0%

2-mesyloxy-1-(2-methylphenyl)-1-butanone (799804-25-4) → 2-ethyl-indan-1-one (22351-56-0) + inden-1-one (83-33-0)

Guidance literature:

In methanol; Irradiation;

DOI:10.1021/jo040173x

upstream raw materials:

2-mesyloxy-1-(2-methylphenyl)-1-butanone

molybdenum hexacarbonyl

ethene

inden-1-one

Downstream raw materials:

2-ethyl-2-fluoro-1-indanone

2-ethyl-3-phenyl-1H-indene

2-ethylindene

2-ethyl-1-oxoindan-2-yl acetate

Refernces

• 1、 Sangu, Kenichiro,Watanabe, Toru,Takaya, Jun,Iwasawa, Nobuharu. "Intermolecular addition reaction to alkenes of acylmolybdenum complexes generated by oxidative addition of aryl or alkenyl halides with molybdenum(0) carbonyl complexes". . p. 929 - 933. Retrieved 2008/02/02.
• 2、 Ozaki, Shigeko,Adachi, Masashi,Sekiya, Sayaka,Kamikawa, Rie. "Cyclization of aryl acyl radicals generated from S-(4-cyano)phenyl thiolesters by a nickel complex catalyzed electroreduction". . p. 4586 - 4589. Retrieved 2007/10/03.