4-hydroxy-3,4-dihydronaphthalen-1(2H)-one

Base Information

• Chemical Name: 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one
• CAS No.: 21032-12-2
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID30943330
• Nikkaji Number: J584.139I
• Wikidata: Q82920386
• Mol file: 21032-12-2.mol

Synonyms:4-hydroxy-1-tetralone

Chemical Property of 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one

Chemical Property:

• Vapor Pressure: 0.000194mmHg at 25°C
• Melting Point: 134 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 314.7°C at 760 mmHg
• PKA: 13.79±0.20(Predicted)
• Flash Point: 133.3°C
• PSA: 37.30000
• Density: 1.25g/cm³
• LogP: 1.69650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

4-hydroxy-3,4-dihydronaphthalen-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=CC=CC=C2C1O

Technology Process of 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one

There total 3 articles about 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one 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: 90.0%

tert.-butylhydroperoxide (75-91-2) + tetralin (119-64-2) → 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one (21032-12-2) + 1,2,3,4-Tetrahydro-1-naphthol (529-33-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) + 1-tetralinyl tert-butylperoxide (106477-02-5)

Guidance literature:

With tetrabutylammomium bromide; copper dichloride; In dichloromethane; at 25 ℃; for 4h; Further byproducts given;

DOI:10.1016/0040-4039(96)00192-X

Reference yield: 61.0%

tetralin (119-64-2) → 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one (21032-12-2) + 1,2,3,4-Tetrahydro-1-naphthol (529-33-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With 1H-imidazole; Mn(TDCPP)Cl; dihydrogen peroxide; In dichloromethane; acetonitrile; at 20 ℃; for 4h;

DOI:10.1248/cpb.50.744

Reference yield:

tetralin (119-64-2) → 1,2,3,4-tetrahydro-1-naphthyl hydroperoxide (771-29-9) + 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one (21032-12-2) + 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene (19070-56-5) + 1,2,3,4-Tetrahydro-1-naphthol (529-33-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With oxygen; fenced cobalt-pyridine complex on silica; In water; at 50 ℃; for 24h; under 770 Torr; Product distribution; other catalysts;

upstream raw materials:

tetralin

tert.-butylhydroperoxide

Downstream raw materials:

N'-(4-hydroxy-3,4-dihydronaphthalen-1(2H)-ylidene)-4-methylbenzenesulfonohydrazide

4-(3,4-dichlorophenyl)-1,2-dihydronaphthalen-1-ol