1-(5,6,7,8-Tetrahydronaphthalen-1-yl)ethanone

Base Information

• Chemical Name: 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)ethanone
• CAS No.: 13577-40-7
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID60501629
• Nikkaji Number: J906.798A
• Wikidata: Q82354115
• Mol file: 13577-40-7.mol

Synonyms:13577-40-7;1-(5,6,7,8-Tetrahydronaphthalen-1-yl)ethanone;1-(5,6,7,8-Tetrahydronaphthalen-1-yl)ethan-1-one;1-(5,6,7,8-TETRAHYDRO-NAPHTHALEN-1-YL)-ETHANONE;1-(1,2,3,4-Tetrahydronaphthalen-5-yl)ethanone;SCHEMBL4570298;DTXSID60501629;AKOS006331702;CS-0272092;FT-0766771;EN300-1837768;W-205475

Chemical Property of 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.000653mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 309.1°C at 760 mmHg
• Flash Point: 132°C
• PSA: 17.07000
• Density: 1.038g/cm³
• LogP: 2.76800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

1-(5,6,7,8-Tetrahydronaphthalen-1-Yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC2=C1CCCC2

Technology Process of 1-(5,6,7,8-Tetrahydronaphthalen-1-yl)ethanone

There total 19 articles about 1-(5,6,7,8-Tetrahydronaphthalen-1-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: 59.0%

tricarbonyl{(4a,5,6,7,8,8a-η)-1,2,3,4-tetrahydronaphthalene}chromium(0) (12154-63-1) + 2-lithio-2-methyl-1,3-dithiane (27969-97-7) → 1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-ethanone (13577-40-7) + 5-(2'-methyl-1',3'-dithian-1'-yl)-1,2,3,4-tetrahydronaphthalene

Guidance literature:

With iodine; HMPT; In tetrahydrofuran; 2-Lithio-2-methyl-1,3-dithiane in THF was treated with Cr(CO)3C10H12 and HMPT (stirring, -78°C, 1.5 h). The mixt. was warmed to 0 °C, stirred (4 h), and then cooled to -78 °C. I2 in THF was added, and the soln. warmed to room temp.; Work-up gave an oil. Sepn. by PLC (hexane/ether,9/1). Spect. identification.;

DOI:10.1016/0022-328X(88)83005-5

Reference yield:

tetralin (119-64-2) + acetic anhydride (108-24-7) → 6-Acetyl-1,2,3,4-tetrahydronaphthalene (774-55-0) + 1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-ethanone (13577-40-7)

Guidance literature:

With aluminium trichloride; nitrobenzene;

Reference yield:

2-(1-ethoxyethoxy)-2-lithiopropanenitrile (69849-04-3) → 6-Acetyl-1,2,3,4-tetrahydronaphthalene (774-55-0) + 1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-ethanone (13577-40-7)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/hlca.19910740836

upstream raw materials:

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

methyllithium

5,6,7,8-tetrahydronaphthylene-1-carboxylic acid chloride

methylmagnesium bromide

Downstream raw materials:

1'-naphthacetophenone

1-ethylnapthelene

1-Phenyl-2-(5,6,7,8-tetrahydro-naphthalen-1-yl)-propan-2-ol

3-phenyl-2,3,6,7,8,9-hexahydro-cyclopenta[a]naphthalen-1-one