3-Butyl-4-hydroxynaphthalene-1,2-dione

Base Information

• Chemical Name: 3-Butyl-4-hydroxynaphthalene-1,2-dione
• CAS No.: 29366-46-9
• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.263
• Hs Code.: 2914690090
• DSSTox Substance ID: DTXSID70276255
• Nikkaji Number: J104.778G
• Wikidata: Q82006673
• Mol file: 29366-46-9.mol

Synonyms:3-butyl-4-hydroxynaphthalene-1,2-dione;29366-46-9;30137-08-7;1,4-Naphthalenedione, 2-butyl-3-hydroxy-;Cambridge id 5325848;Oprea1_442014;CBDivE_016301;DTXSID70276255;ZONYJZHBAWFOLS-UHFFFAOYSA-N;2-Butyl-3-hydroxynaphthoquinone #;1,4-Naphthoquinone, 2-butyl-3-hydroxy-;SR-01000204762;SR-01000204762-1

Chemical Property of 3-Butyl-4-hydroxynaphthalene-1,2-dione

Chemical Property:

• Vapor Pressure: 1.23E-06mmHg at 25°C
• Boiling Point: 385.6°C at 760 mmHg
• Flash Point: 201.2°C
• PSA: 49.69000
• Density: 1.237g/cm³
• LogP: 6.85680
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.094294304
• Heavy Atom Count: 17
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Technology Process of 3-Butyl-4-hydroxynaphthalene-1,2-dione

There total 13 articles about 3-Butyl-4-hydroxynaphthalene-1,2-dione 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: 60.0%

2-butyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)[1,4]naphthaquinone (252863-67-5) → 3-n-butyl-2-hydroxy-1,4-naphthoquinone (29366-46-9)

Guidance literature:

With hydroxide; dihydrogen peroxide; for 0.5h;

DOI:10.1039/a906643h

Reference yield: 36.6%

1-bromo-butane (109-65-9) + 2-hydroxynaphtho-1,4-quinone (83-72-7) → 3-n-butyl-2-hydroxy-1,4-naphthoquinone (29366-46-9) + 2-butyloxy-1,4-naphthoquinone (20328-17-0)

Guidance literature:

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

DOI:10.3390/molecules200711994

Reference yield:

3-butyl-1,4-dihydroxy-[2]naphthoic acid ethyl ester → 3-n-butyl-2-hydroxy-1,4-naphthoquinone (29366-46-9)

Guidance literature:

With sodium hydroxide; air; at 50 ℃;

DOI:10.1021/ja01860a033

upstream raw materials:

2-butyl-naphthalene-1,3-diol

2-hydroxynaphtho-1,4-quinone

tributyl borane

2-butyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)[1,4]naphthaquinone

Downstream raw materials:

4-{N'-[3-Butyl-2-hydroxy-4-oxo-4H-naphthalen-(1Z)-ylidene]-hydrazino}-3-iodo-benzoic acid

2-Butyl-3-hydroxy-4-[(2-iodo-4-methyl-phenyl)-hydrazono]-4H-naphthalen-1-one

2-Butyl-3-hydroxy-4-[(4-iodo-phenyl)-hydrazono]-4H-naphthalen-1-one

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