2-(Butylamino)naphthalene-1,4-dione

Base Information

• Chemical Name: 2-(Butylamino)naphthalene-1,4-dione
• CAS No.: 59094-50-7
• Molecular Formula: C14H15NO2
• Molecular Weight: 229.279
• NSC Number: 225988
• DSSTox Substance ID: DTXSID30310346
• Nikkaji Number: J1.408.031G
• Wikidata: Q82059258

Synonyms:2-(butylamino)naphthalene-1,4-dione;59094-50-7;NSC 225988;NSC225988;2-(butylamino)naphthoquinone;SCHEMBL21814444;2-butylamino-1,4-naphthoquinone;DTXSID30310346;2-(Butylamino)-1,4-naphthoquinone;AKOS037633182;NSC-225988;AK-693/43466997

Chemical Property of 2-(Butylamino)naphthalene-1,4-dione

Chemical Property:

• Vapor Pressure: 7.73E-06mmHg at 25°C
• Boiling Point: 375.5°Cat760mmHg
• Flash Point: 147°C
• Density: 1.16g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 229.110278721
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=CC(=O)C2=CC=CC=C2C1=O

Technology Process of 2-(Butylamino)naphthalene-1,4-dione

There total 4 articles about 2-(Butylamino)naphthalene-1,4-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: 98.0%

N-butylamine (109-73-9,85404-21-3) + [1,4]naphthoquinone (130-15-4) → 2-(butylamino)naphthalene-1,4-dione (59094-50-7)

Guidance literature:

With oxygen; cobalt(II) acetate; In dichloromethane; at 20 ℃; for 12h; Reagent/catalyst; Darkness;

DOI:10.1002/anie.201805580

Reference yield: 78.0%

2-methoxy-1,4-naphthoquinone (2348-82-5) + N-butylamine (109-73-9,85404-21-3) → 2-(butylamino)naphthalene-1,4-dione (59094-50-7)

Guidance literature:

In toluene; Heating;

DOI:10.1590/S0103-50532011000500021

Reference yield: 67.8%

N-butylamine (109-73-9,85404-21-3) + [1,4]naphthoquinone (130-15-4) → 2-iodo-3-(butylamino)naphthalene-1,4-dione (1426901-07-6) + 2-(butylamino)naphthalene-1,4-dione (59094-50-7)

Guidance literature:

With iodine; In chloroform; at 0 ℃; Overall yield = 85.1 %;

DOI:10.3184/174751912X13547276507240

upstream raw materials:

N-butylamine

[1,4]naphthoquinone

2-methoxy-1,4-naphthoquinone

Downstream raw materials:

C₂₈H₂₁NO₂

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