3-Nitrobenzofuran

Base Information

• Chemical Name: 3-Nitrobenzofuran
• CAS No.: 75420-78-9
• Molecular Formula: C8H5 N O3
• Molecular Weight: 163.133
• DSSTox Substance ID: DTXSID90506642
• Nikkaji Number: J2.960.325A
• Wikidata: Q82362487
• Mol file: 75420-78-9.mol

Synonyms:3-Nitrobenzofuran;3-Nitro-1-benzofuran;75420-78-9;SCHEMBL8081425;DTXSID90506642

Chemical Property of 3-Nitrobenzofuran

Chemical Property:

• PSA: 58.96000
• LogP: 2.86420
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98% ^*data from raw suppliers

3-Nitrobenzofuran 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)[N+](=O)[O-]

Technology Process of 3-Nitrobenzofuran

There total 2 articles about 3-Nitrobenzofuran 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:

1-benzofurane (271-89-6) + dinitrogen tetraoxide (10544-72-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-nitrobenzofuran (75420-78-9) + 2-nitro-benzofuran (33094-66-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1)

Guidance literature:

Reference yield:

1-benzofurane (271-89-6) → 6-nitrobenzofuran (57786-33-1) + 3-nitrobenzofuran (75420-78-9) + 4-nitro-benzofuran (69227-65-2) + (2R,3'R)-3,2'-Dinitro-2,3,2',3'-tetrahydro-[2,3']bibenzofuranyl

Guidance literature:

With Nitrogen dioxide; In various solvent(s); at 20 ℃; for 6h;

DOI:10.3891/acta.chem.scand.51-0984

Reference yield: 82.0%

3-nitrobenzofuran (75420-78-9) + danishefsky's diene (54125-02-9) → 3-hydroxydibenzofuran (20279-16-7)

Guidance literature:

In benzene; at 140 ℃; for 72h; Cooling with liquid nitrogen; sealed;

DOI:10.1016/j.tetlet.2011.02.074

upstream raw materials:

1-benzofurane

dinitrogen tetraoxide

benzene

Downstream raw materials:

dihydro-2,3 benzofurannamine-3

2-Nitromethyl-phenol

formic acid

3-hydroxydibenzofuran

Refernces