2-Ethyl-1,4-naphthoquinone

Base Information

• Chemical Name: 2-Ethyl-1,4-naphthoquinone
• CAS No.: 5409-32-5
• Molecular Formula: C12H10O2
• Molecular Weight: 186.21
• NSC Number: 8516
• UNII: 564V426H47
• DSSTox Substance ID: DTXSID30202419
• Nikkaji Number: J458.146F
• Wikidata: Q83075686
• Mol file: 5409-32-5.mol

Synonyms:2-Ethyl-1,4-naphthoquinone;5409-32-5;1,4-Naphthalenedione,2-ethyl-;2-Ethylnaphthoquinone;1,4-Naphthalenedione, 2-ethyl-;NSC-8516;564V426H47;NSC8516;NSC 8516;2-Ethylnaphthoquinone #;SCHEMBL597656;DTXSID30202419;UNII-564V426H47;2-ETHYL-1,4-NAPHTHALENEDIONE;AKOS006290961;1,4-NAPHTHOQUINONE, 2-ETHYL-

Chemical Property of 2-Ethyl-1,4-naphthoquinone

Chemical Property:

• Vapor Pressure: 0.000376mmHg at 25°C
• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 119°C
• PSA: 34.14000
• Density: 1.177g/cm³
• LogP: 2.40200
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYL-1,4-DIHYDRO NAPHTHALENE-1,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=O)C2=CC=CC=C2C1=O

Technology Process of 2-Ethyl-1,4-naphthoquinone

There total 7 articles about 2-Ethyl-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: 9.0%

ethylaluminum dichloride (563-43-9) + [1,4]naphthoquinone (130-15-4) → 2-ethyl-1,4-naphthoquinone (5409-32-5) + 4,4'-diethoxy-[2,2']-binaphthalinyl-1,1'-diol (65195-28-0) + 4-ethoxy-1-naphthol (27294-38-8) + 1,4-diethoxynaphthalene (27294-37-7)

Guidance literature:

In hexane; dichloromethane; -78 deg C, 1 h, then room temp., 2 h;

DOI:10.1016/S0022-328X(98)00865-1

Reference yield:

oxalic acid diethyl ester (95-92-1) + [1,4]naphthoquinone (130-15-4) → 2-ethyl-1,4-naphthoquinone (5409-32-5) + menadione (58-27-5,34524-96-4)

Guidance literature:

With sodium persulfate; sulfuric acid; silver nitrate; In water; acetonitrile; for 4h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

Reference yield:

Ethyl propionate (105-37-3,20741-13-3) + [1,4]naphthoquinone (130-15-4) → 2-ethyl-1,4-naphthoquinone (5409-32-5) + menadione (58-27-5,34524-96-4) + 2,3-diethyl-1,4-naphthoquinone (2397-59-3)

Guidance literature:

With sodium persulfate; sulfuric acid; silver nitrate; In water; for 4h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

upstream raw materials:

1-(2-acetyl-phenyl)-butan-1-one

Ethyl propionate

[1,4]naphthoquinone

oxalic acid diethyl ester

Downstream raw materials:

3-chloromethyl-2-ethyl-1,4-naphthoquinone

2-Ethyl-3-phenacyl-1,4-naphthoquinone

benzene-1,2-dicarboxylic acid