2-Dodecyl-3-hydroxy-1,4-naphthoquinone

Base Information

• Chemical Name: 2-Dodecyl-3-hydroxy-1,4-naphthoquinone
• CAS No.: 57960-31-3
• Molecular Formula: C22H30O3
• Molecular Weight: 342.478
• UNII: DWA2JG4TUB
• ChEMBL ID: CHEMBL102734
• DSSTox Substance ID: DTXSID90897188
• Nikkaji Number: J857.530D
• Wikidata: Q27276636
• Mol file: 57960-31-3.mol

Synonyms:2-hydroxy-3-dodecyl-1,4-naphthoquinone;hydroxyacequinocyl

Chemical Property of 2-Dodecyl-3-hydroxy-1,4-naphthoquinone

Chemical Property:

• Vapor Pressure: 7.28E-10mmHg at 25°C
• Melting Point: 94～98℃
• Refractive Index: 1.542
• Boiling Point: 475.9°C at 760 mmHg
• PKA: 5.10±0.10(Predicted)
• Flash Point: 255.7°C
• PSA: 54.37000
• Density: 1.076g/cm³
• LogP: 6.18870
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 342.21949481
• Heavy Atom Count: 25
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

ACEQUINOCYL-HYDROXY 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Technology Process of 2-Dodecyl-3-hydroxy-1,4-naphthoquinone

There total 9 articles about 2-Dodecyl-3-hydroxy-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: 94.9%

2-(dodec-1-en-1-yl)-3-hydroxy-1,4-dihydronaphthalene-1,4-dione → 2-(1-dodecyl)-3-hydroxy-1,4-naphthoquinone (57960-31-3)

Guidance literature:

In methanol; at 50 ℃; for 2h; Temperature;

Reference yield: 56.3%

2-hydroxynaphtho-1,4-quinone (83-72-7) + 1-dodecyl alcohol (112-53-8) → 2-(1-dodecyl)-3-hydroxy-1,4-naphthoquinone (57960-31-3) + 2-dodecyloxy-1,4-naphthoquinone

Guidance literature:

With triethylamine; sodium iodide; In N,N-dimethyl-formamide; at 40 ℃; for 72h;

DOI:10.3390/molecules200711994

Reference yield:

ethanol (64-17-5) + 3-chloro-2-n-dodecyl-1,4-naphthoquinone (64955-12-0) → 2-(1-dodecyl)-3-hydroxy-1,4-naphthoquinone (57960-31-3)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

dilauroyl peroxide

1,2,4-triacetyloxynaphthalene

[1,4]naphthoquinone

Downstream raw materials:

acequinocyl

2-(1-methylaminododecyl)-3-hydroxy-1,4-naphthoquinone

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