2-(4-Fluoroanilino)naphthoquinone

Base Information

• Chemical Name: 2-(4-Fluoroanilino)naphthoquinone
• CAS No.: 1647-90-1
• Molecular Formula: C16H10FNO2
• Molecular Weight: 267.259
• ChEMBL ID: CHEMBL84014
• DSSTox Substance ID: DTXSID401248912
• Nikkaji Number: J1.173.890G
• Mol file: 1647-90-1.mol

Synonyms:1647-90-1;CHEMBL84014;SCHEMBL16297244;DTXSID401248912;KUC111769N;AKOS037480441;KSC-293-080;2-(4-FLUOROANILINO)NAPHTHOQUINONE;2-(4-fluorophenylamino)-1,4-naphthoquinone;2-[(4-Fluorophenyl)amino]-1,4-naphthalenedione

Chemical Property of 2-(4-Fluoroanilino)naphthoquinone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.06955672
• Heavy Atom Count: 20
• Complexity: 438

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)F

Technology Process of 2-(4-Fluoroanilino)naphthoquinone

There total 7 articles about 2-(4-Fluoroanilino)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: 90.0%

4-fluoroaniline (371-40-4) + [1,4]naphthoquinone (130-15-4) → 2-((4-fluorophenyl)amino)naphthalene-1,4-dione (1647-90-1)

Guidance literature:

With copper diacetate; acetic acid; at 70 ℃; for 2h; Reagent/catalyst; Solvent; Time;

DOI:10.1016/j.jfluchem.2015.08.016

Reference yield: 85.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + [1,4]naphthoquinone (130-15-4) → 2-((4-fluorophenyl)amino)naphthalene-1,4-dione (1647-90-1)

Guidance literature:

With zinc(II) acetate dihydrate; In water; at 20 ℃; for 5h;

Reference yield: 39.0%

1,4-Dihydroxynaphthalene (571-60-8) + 4-fluoroaniline (371-40-4) → 2-((4-fluorophenyl)amino)naphthalene-1,4-dione (1647-90-1)

Guidance literature:

With dihydrogen peroxide; iodine; In water; for 0.166667h;

DOI:10.1039/c2gc16259h

upstream raw materials:

4-fluoroaniline

[1,4]naphthoquinone

2-methoxy-1,4-naphthoquinone

1,4-Dihydroxynaphthalene

Downstream raw materials:

2-((4-fluorophenyl)(prop-2-ynyl)amino)naphthalene-1,4-dione

1-(4-fluorophenyl)-1,2-dihydrobenzo[g]quinoline-5,10-dione

N-methyl-2-(4-fluorophenyl)amino-1,4-naphthoquinone

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