2,3-Dihydro-1,4-naphthoquinone

Base Information

• Chemical Name: 2,3-Dihydro-1,4-naphthoquinone
• CAS No.: 21545-31-3
• Molecular Formula: C10H8O2
• Molecular Weight: 160.172
• DSSTox Substance ID: DTXSID80467177
• Nikkaji Number: J1.863.637I
• Wikidata: Q82293987
• Mol file: 21545-31-3.mol

Synonyms:2,3-Dihydro-1,4-naphthoquinone;21545-31-3;2,3-dihydronaphthalene-1,4-dione;tetralin-1,4-dione;dihydronaphthoquinone;1,4-Tetralindione;SCHEMBL855431;DTXSID80467177;ZWGGJMFMHQHTFR-UHFFFAOYSA-N;AKOS025212135;1,2,3,4-tetrahydronaphthalene-1,4-dione;FT-0717209

Chemical Property of 2,3-Dihydro-1,4-naphthoquinone

Chemical Property:

• Melting Point: 98 °C
• Boiling Point: 320.0±22.0 °C(Predicted)
• PSA: 34.14000
• Density: 1.239±0.06 g/cm3(Predicted)
• LogP: 1.84580
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=CC=CC=C2C1=O

Technology Process of 2,3-Dihydro-1,4-naphthoquinone

There total 14 articles about 2,3-Dihydro-1,4-naphthoquinone 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: 80.0%

1,2,3,4-Tetrahydro-1-naphthol (529-33-9) → 2,3-dihydronaphthalene-1,4-dione (21545-31-3) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With manganese(III) Schiff-base; dihydrogen peroxide; at 20 ℃; for 5h;

DOI:10.1016/j.tetlet.2006.02.007

Reference yield: 77.0%

tert.-butylhydroperoxide (75-91-2) + tetralin (119-64-2) → 2,3-dihydronaphthalene-1,4-dione (21545-31-3) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) + 1-tetralinyl tert-butylperoxide (106477-02-5)

Guidance literature:

With copper(II) choride dihydrate; tetrabutyl-ammonium chloride; sodium carbonate; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 20 ℃; for 17h; Green chemistry;

DOI:10.1515/chem-2020-0018

Reference yield: 76.2%

tetralin (119-64-2) → 2,3-dihydronaphthalene-1,4-dione (21545-31-3) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With 1-butyl hydroperoxide; bis-(triphenylsilyl oxide)dioxochromium; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1080/00397919308018604

upstream raw materials:

tetralin

5,8-dihydronaphthalene-1,4-dione

acetaldehyde

1,8-Dimethoxy-9,10-dioxa-tricyclo[6.2.2.0^2,7]dodeca-2⁽⁷⁾,3,5,11-tetraene

Downstream raw materials:

2-(2-hydroxyphenyl)anthraquinone