4-Oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate

Base Information

• Chemical Name: 4-Oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate
• CAS No.: 153259-54-2
• Molecular Formula: C12H12O3
• Molecular Weight: 204.22200
• DSSTox Substance ID: DTXSID30586549
• Nikkaji Number: J2.248.551B
• Mol file: 153259-54-2.mol

Synonyms:153259-54-2;4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate;(4-oxo-2,3-dihydro-1H-naphthalen-1-yl) acetate;4-(acetyloxy)-3,4-dihydro-1(2H)-Naphthalenone;SCHEMBL1266626;DTXSID30586549;DB-063978;A898426

Chemical Property of 4-Oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate

Chemical Property:

• Boiling Point: 309.2±41.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 2.26730
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

4-(ACETYLOXY)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC(=O)C2=CC=CC=C12

Technology Process of 4-Oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate

There total 5 articles about 4-Oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate 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: 88.0%

1,2,3,4-tetrahydronaphthalen-1-yl acetate (23357-51-9,65915-64-2,79465-04-6,21503-12-8) → 4-acetoxy-1-tetralone (153259-54-2)

Guidance literature:

With tert.-butylhydroperoxide; sodium hydrogencarbonate; dirhodium(II) tetrakis(caprolactam); In decane; 1,2-dichloro-ethane; at 40 ℃; for 16h;

DOI:10.1021/ol0520020

Reference yield: 54.0%

acetic acid (64-19-7,77671-22-8) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 4-acetoxy-1-tetralone (153259-54-2)

Guidance literature:

With sodium acetate; In acetonitrile; anodic oxidation;

DOI:10.1246/bcsj.66.2767

Reference yield: 8.0%

Isopropenyl acetate (108-22-5) + 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene (19070-56-5) → C14H16O4 (1228121-28-5) + 4-acetoxy-1-tetralone (153259-54-2)

Guidance literature:

1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene; With dicarbonyl(chloro)(η⁵-pentaphenylcyclopentadienyl)ruthenium(II); potassium tert-butylate; In toluene; at 50 ℃; for 0.5h; Inert atmosphere;

Isopropenyl acetate; With sodium carbonate; In toluene; at 50 ℃; for 96h; optical yield given as %ee; Inert atmosphere; Enzymatic reaction;

DOI:10.1002/chem.200903114

upstream raw materials:

acetic acid

3,4-dihydronaphthalene-1(2H)-one

1,2,3,4-tetrahydronaphthalen-1-yl acetate

1,2,3,4-Tetrahydro-1-naphthol