4-Nitrodibenzofuran

Base Information

• Chemical Name: 4-Nitrodibenzofuran
• CAS No.: 86607-81-0
• Molecular Formula: C₁₂H₇NO₃
• Molecular Weight: 213.192
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID80235696
• Nikkaji Number: J501.124H
• Wikidata: Q83117580
• Mol file: 86607-81-0.mol

Synonyms:4-Nitrodibenzofuran;86607-81-0;Dibenzofuran, 4-nitro-;CCRIS 5087;4-Nitrodibenzo[b,d]furan;BRN 0186215;4-17-00-00591 (Beilstein Handbook Reference);SCHEMBL17917509;DTXSID80235696;LS-61076;CS-0456645

Chemical Property of 4-Nitrodibenzofuran

Chemical Property:

• Vapor Pressure: 1.26E-05mmHg at 25°C
• Melting Point: 138-139 °C
• Boiling Point: 379.6°Cat760mmHg
• Flash Point: 183.4°C
• PSA: 58.96000
• Density: 1.399g/cm³
• LogP: 4.01740
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.042593085
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

4-NITRODIBENZOFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)[N+](=O)[O-]

Technology Process of 4-Nitrodibenzofuran

There total 23 articles about 4-Nitrodibenzofuran 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: 86.0%

4-dibenzofurylboronic acid (100124-06-9) → 4-nitrodibenzo[b,d]furan (86607-81-0)

Guidance literature:

With dipotassium peroxodisulfate; bismuth (III) nitrate pentahydrate; In benzene; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol300325t

Reference yield: 84.0%

dibenzofuran-4-carboxylic acid (2786-05-2) → 4-nitrodibenzo[b,d]furan (86607-81-0)

Guidance literature:

With nitronium tetrafluoborate; silver carbonate; In N,N-dimethyl acetamide; at 90 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.5b02133

Reference yield: 80.0%

dibenzofuran (132-64-9,214827-48-2) → 3-nitrodibenzofuran (5410-97-9) + 2-nitrodibenzofuran (20927-95-1) + 4-nitrodibenzo[b,d]furan (86607-81-0) + 1-nitrodibenzofuran (87812-99-5)

Guidance literature:

With tetranitromethane; In trifluoroacetic acid; at 0 ℃; for 10h; Product distribution; Mechanism; Irradiation; -45 deg. C, also in dark; regioselectivity studied;

DOI:10.1246/cl.1988.1285

upstream raw materials:

6-nitro-dibenzofuran-4-ylamine

isopentyl nitrite

dibenzofuran

4-Methylbenzyl chloride

Downstream raw materials:

4-aminodibenzofuran

Refernces

• 1、 -. "Condensed fluorene derivative comprising heterocyclic ring". Paragraph 0455-0461; 0785-0791. . Retrieved 2019/12/25.
• 2、 -. "Novel heterocyclic compounds and organic light-emitting diode including the same". Page/Page column 0479-0483. . Retrieved 2018/07/28.