Ethyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate

Base Information

• Chemical Name: Ethyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate
• CAS No.: 51062-76-1
• Molecular Formula: C14H16O4
• Molecular Weight: 248.27400
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60517149
• Wikidata: Q82378969
• Mol file: 51062-76-1.mol

Synonyms:51062-76-1;Ethyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate;ethyl 2-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yloxy)acetate;ethyl 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetate;ethyl 2-[(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate;SCHEMBL20807156;DTXSID60517149;Ethyl2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate;AKOS011108178;J-520632;Ethyl [(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate

Chemical Property of Ethyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate

Chemical Property:

• Melting Point: 115-118 °C
• Boiling Point: 399.6±37.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.183±0.06 g/cm3(Predicted)
• LogP: 2.14750
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 248.10485899
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC2=C(C=C1)C(=O)CCC2

Technology Process of Ethyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate

There total 3 articles about Ethyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)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: 76.0%

6-Hydroxy-1-tetralone (3470-50-6) + ethyl bromoacetate (105-36-2) → ethyl [(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate (51062-76-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 3h;

DOI:10.1248/cpb.31.2329

Reference yield:

6-methoxy-3,4-dihydro-1(2H)-naphthalenone (1078-19-9) → ethyl [(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate (51062-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / aq. HBr / acetic acid / 12 h / 120 °C

2: 68 percent / K₂CO₃ / acetone / 12 h / Heating

With hydrogen bromide; potassium carbonate; In acetic acid; acetone;

DOI:10.1016/j.farmac.2004.05.001

Reference yield:

→ ethyl [(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate (51062-76-1)

Guidance literature:

aus entspr. Hydroxytetralon, entspr. Bromacetat;

upstream raw materials:

6-Hydroxy-1-tetralone

ethyl bromoacetate

6-methoxy-3,4-dihydro-1(2H)-naphthalenone

Downstream raw materials:

C₂₁H₂₃NO₆S

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