2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione

Base Information

• Chemical Name: 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione
• CAS No.: 75112-66-2
• Molecular Formula: C16H9ClN2O4
• Molecular Weight: 328.711
• European Community (EC) Number: 666-074-7
• NSC Number: 129140
• DSSTox Substance ID: DTXSID10299266
• Wikidata: Q82041540
• ChEMBL ID: CHEMBL2018800

Synonyms:2-chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione;75112-66-2;2-chloro-3-(4-nitroanilino)naphthalene-1,4-dione;2-chloro-3-(4-nitroanilino)naphthoquinone;NSC129140;CHEMBL2018800;DTXSID10299266;NSC-129140;2-(4-nitroanilino)-3-chloro-1,4-naphthoquinone

Chemical Property of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione

Chemical Property:

• Vapor Pressure: 1.73E-09mmHg at 25°C
• Boiling Point: 483.1°Cat760mmHg
• Flash Point: 246°C
• Density: 1.53g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 328.0250845
• Heavy Atom Count: 23
• Complexity: 561

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione

There total 10 articles about 2-Chloro-3-[(4-nitrophenyl)amino]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: 90.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 4-nitro-aniline (100-01-6,104810-17-5) → 2,3-bis-(4-nitro-phenylamino)-[1,4]naphthoquinone + 2-chloro-3-[(4-nitrophenyl)amino]-1,4-naphthoquinone (75112-66-2)

Guidance literature:

With sodium t-butanolate; 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In toluene; at 80 ℃; for 12h;

DOI:10.1055/s-2006-939047

Reference yield: 65.0%

2-chloro-3-(phenylamino)naphthalene-1,4-dione (1090-16-0) → 2-chloro-3-[(4-nitrophenyl)amino]-1,4-naphthoquinone (75112-66-2)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1016/j.tetlet.2020.151731

Reference yield: 18.3%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 4-nitro-aniline (100-01-6,104810-17-5) → 2-chloro-3-[(4-nitrophenyl)amino]-1,4-naphthoquinone (75112-66-2)

Guidance literature:

In ethanol; for 72h; Reflux;

DOI:10.1016/j.bmcl.2012.02.086

upstream raw materials:

2-chloro-3-(phenylamino)naphthalene-1,4-dione

2-chloro-3-(N-nitroso-anilino)-[1,4]naphthoquinone

acetic acid

2,3-Dichloro-1,4-naphthoquinone

Downstream raw materials:

2-amino-3-(4-nitrophenylamino)-1,4-naphthoquinone

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