1-(2,3-Dihydro-1h-inden-4-yl)ethanone

Base Information

• Chemical Name: 1-(2,3-Dihydro-1h-inden-4-yl)ethanone
• CAS No.: 38997-97-6
• Molecular Formula: C11H12 O
• Molecular Weight: 160.216
• Hs Code.: 2914390090
• DSSTox Substance ID: DTXSID70545993
• Nikkaji Number: J89.261K
• Wikidata: Q82423670
• Mol file: 38997-97-6.mol

Synonyms:38997-97-6;1-(2,3-dihydro-1h-inden-4-yl)ethanone;4-Acetylindan;1-INDAN-4-YL-ETHANONE;1-(2,3-Dihydro-1H-inden-4-yl)ethan-1-one;4-acetylindane;SCHEMBL3396949;DTXSID70545993;FPHUGFGBPNVMQR-UHFFFAOYSA-N;MFCD09033715;AKOS006281434;AS-63198;CS-0046205;N12539;EN300-1869294;A873734

Chemical Property of 1-(2,3-Dihydro-1h-inden-4-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.00243mmHg at 25°C
• Melting Point: 39.0 to 43.0 °C
• Refractive Index: 1.559
• Boiling Point: 287.8°C at 760 mmHg
• Flash Point: 121.5°C
• PSA: 17.07000
• Density: 1.067g/cm³
• LogP: 2.37790
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• 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:

98%,99%, ^*data from raw suppliers

4-Acetylindan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC2=C1CCC2

Technology Process of 1-(2,3-Dihydro-1h-inden-4-yl)ethanone

There total 7 articles about 1-(2,3-Dihydro-1h-inden-4-yl)ethanone 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: 70.2%

4-Acetyl-6-tert-butylindan (38997-96-5) → 1-(2,3-dihydro-1H-inden-4-yl)ethanone (38997-97-6)

Guidance literature:

With aluminium trichloride; In toluene; for 120h; Ambient temperature;

DOI:10.1007/BF00813793

Reference yield: 52.0%

[1-(3-Allyl-phenyl)-eth-(Z)-ylidene]-benzyl-amine → 1-(2,3-dihydro-1H-inden-4-yl)ethanone (38997-97-6) + 1-[((E)-3-Propenyl)-phenyl]-ethanone (371754-69-7)

Guidance literature:

[1-(3-Allyl-phenyl)-eth-(Z)-ylidene]-benzyl-amine; With Wilkinson's catalyst; In toluene; at 125 ℃; for 1h;

With hydrogenchloride;

DOI:10.1021/ja016642j

Reference yield:

INDANE (496-11-7) → 1-(2,3-dihydro-1H-inden-4-yl)ethanone (38997-97-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 57.3 percent / CH₂Cl₂ / 2 h

2: 63.8 percent / AlCl₃ / CCl₄ / 2 h / Ambient temperature

3: 70.2 percent / AlCl₃ / toluene / 120 h / Ambient temperature

With aluminium trichloride; In tetrachloromethane; dichloromethane; toluene;

DOI:10.1007/BF00813793

upstream raw materials:

methyl magnesium iodide

2,3-dihydro-1H-indene-4-carbonitrile

4-Acetyl-6-tert-butylindan

2-(1-ethoxyethoxy)-2-lithiopropanenitrile

Downstream raw materials:

2,3-dihydro-1H-indene-4-carboxylic acid

4-(5-(2,3-dihydro-1H-inden-4-yl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide

7-methoxy-indan-4-ol

4-Indancarbonsaeuremethylester

Refernces

• 1、 Thalji,Ahrendt,Bergman,Ellman. "Annulation of aromatic imines via directed C-H activation with Wilkinson's catalyst [10]". . p. 9692 - 9693. Retrieved 2007/10/03.
• 2、 Kuendig, E. Peter,Grivet, Chantal,Wenger, Eric,Bernardinelli, Gerald,Williams, Alan F.. "188. Addition of Carbon Nucleophiles to Tricarbonylchromium Complexes of 1,2-Dihydrocyclobutabenzene, Indane, 1,2,3,4-Tetrahydronaphthalene and ortho-Xylene". . p. 2009 - 2023. Retrieved 2007/10/02.