1-(3,4-Dihydronaphthalen-1-yl)ethanone

Base Information

• Chemical Name: 1-(3,4-Dihydronaphthalen-1-yl)ethanone
• CAS No.: 67106-36-9
• Molecular Formula: C12H12O
• Molecular Weight: 172.227
• UNII: Y3Q3HC5776
• DSSTox Substance ID: DTXSID40447596
• Nikkaji Number: J3.241.689F
• Wikidata: Q82266470
• ChEMBL ID: CHEMBL378621
• Mol file: 67106-36-9.mol

Synonyms:1-(3,4-dihydronaphthalen-1-yl)ethanone;67106-36-9;CHEMBL378621;1-(3,4-dihydro-naphthalen-1-yl)-ethanone;1-(3,4-dihydronaphthalen-1-yl)ethan-1-one;Ethanone, 1-(3,4-dihydro-1-naphthalenyl)-;D0J3HR;SCHEMBL6337844;1-acetyl-3,4-dihydronaphthalene;DTXSID40447596;Y3Q3HC5776;BDBM50189272;1-(3,4-dihydro-1-naphthalenyl)ethanone;PD178889

Chemical Property of 1-(3,4-Dihydronaphthalen-1-yl)ethanone

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.088815002
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CCCC2=CC=CC=C21

Technology Process of 1-(3,4-Dihydronaphthalen-1-yl)ethanone

There total 16 articles about 1-(3,4-Dihydronaphthalen-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: 99.0%

1-(3,4-dihydronaphthalen-1-yl)-ethanol (96945-09-4) → 1-(1,2,3,4-tetrahydronaphthalen-4-yl)ethanone (67106-36-9)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; for 1.5h;

DOI:10.1016/j.bmcl.2006.05.041

Reference yield: 91.0%

1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (77103-90-3) → 1-(1,2,3,4-tetrahydronaphthalen-4-yl)ethanone (67106-36-9)

Guidance literature:

With phosphorus pentoxide; In benzene; for 0.333333h; Heating;

Reference yield: 90.0%

1'-naphthacetophenone (941-98-0) → 1-(1,2,3,4-tetrahydronaphthalen-4-yl)ethanone (67106-36-9)

Guidance literature:

With ammonia; calcium; In tetrahydrofuran; at -33 ℃; for 2h; other reagents: lithium, sodium, liq. ammonia;

DOI:10.1021/jo951219c

upstream raw materials:

1'-naphthacetophenone

1-acetyl-4-methoxynaphthalene

1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

3,4-dihydro-[1]naphthoyl chloride

Downstream raw materials:

2-methyl-4-oxo-1,4,4a,9,10,10a-hexahydro-phenanthrene-1-carboxylic acid ethyl ester

1-(α-trimethylsiloxyvinyl)-3,4-dihydronaphthalene

Acetat d. Enolform v. 1-Acetyl-3,4-dihydro-naphthalin

13-Oxo-2,6-dimethyl-2,3,4,5,6,6a,7,8-octahydro-4,12b-methano-1H-naptho<2,1-b><1,5>diazocine

Refernces

• 1、 Nandi, Ganesh C.,Rathman, Benjamin M.,Laali, Kenneth K.. "Mild conversion of propargylic alcohols to α,β-unsaturated enones in ionic liquids (ILs); A new 'metal free' life for the Rupe rearrangement". supporting information. p. 6258 - 6263. Retrieved 2013/10/22.
• 2、 -. "INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF". Page/Page column 21. . Retrieved 2009/04/24.