5-Methoxy-2-nitrobenzofuran

Base Information

• Chemical Name: 5-Methoxy-2-nitrobenzofuran
• CAS No.: 30335-72-9
• Molecular Formula: C9H7 N O4
• Molecular Weight: 193.159
• NSC Number: 170707
• UNII: Q6EDI9NWA7
• DSSTox Substance ID: DTXSID10184421
• Nikkaji Number: J76.298I
• Wikidata: Q83055344
• ChEMBL ID: CHEMBL7354
• Mol file: 30335-72-9.mol

Synonyms:5-Methoxy-2-nitrobenzofuran;30335-72-9;2-Nitro-5-methoxybenzofuran;BENZOFURAN, 5-METHOXY-2-NITRO-;R 5255;Q6EDI9NWA7;NSC 170707;BRN 1313124;NSC-170707;5-17-04-00204 (Beilstein Handbook Reference);5-methoxy-2-nitro-1-benzofuran;UNII-Q6EDI9NWA7;CHEMBL7354;SCHEMBL10494008;DTXSID10184421;NSC170707;LS-35209;A924808

Chemical Property of 5-Methoxy-2-nitrobenzofuran

Chemical Property:

• Vapor Pressure: 0.000795mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 315.7°Cat760mmHg
• Flash Point: 144.7°C
• PSA: 68.19000
• Density: 1.358g/cm³
• LogP: 2.87280
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.03750770
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxy-2-nitrobenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)OC(=C2)[N+](=O)[O-]

Technology Process of 5-Methoxy-2-nitrobenzofuran

There total 8 articles about 5-Methoxy-2-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: 83.0%

2-Hydroxy-4-methoxybenzaldehyde (673-22-3) + bromonitromethane (563-70-2) → methoxy-5 nitro-2 benzofuranne (30335-72-9)

Guidance literature:

2-Hydroxy-4-methoxybenzaldehyde; bromonitromethane; With potassium carbonate; In acetone; at 20 ℃; for 6h;

With acetic anhydride; In acetone; for 6h; Reflux;

DOI:10.1111/cbdd.12581

Reference yield: 77.0%

2-(2-nitrovinyl)-4-methoxyphenol (35467-98-2) → methoxy-5 nitro-2 benzofuranne (30335-72-9)

Guidance literature:

2-(2-nitrovinyl)-4-methoxyphenol; With sodium tetrahydroborate; In chloroform; isopropyl alcohol; at 0 ℃; for 1h;

With [bis(acetoxy)iodo]benzene; tetra-(n-butyl)ammonium iodide; triethylamine; In chloroform; isopropyl alcohol; acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/j.bmc.2020.115565

Reference yield: 59.0%

potassium trinitromethanide (14268-23-6) + (2-hydroxy-5-methoxy-1-phenyl)methyltrimethylammonium iodide (51698-46-5) → methoxy-5 nitro-2 benzofuranne (30335-72-9)

Guidance literature:

With triethylamine; In acetonitrile; for 0.666667h; Inert atmosphere; Reflux;

DOI:10.1021/jo402543s

upstream raw materials:

2-hydroxy-5-methoxybenzaldehyde

bromonitromethane

5-Methoxy-2-nitro-2,3-dihydro-benzofuran-3-ol

potassium trinitromethanide

Downstream raw materials:

bromo-4 methoxy-5 nitro-2 benzofuranne

5-hydroxy-2-nitrobenzofuran

formyl-4 hydroxy-5 nitro-2 benzofuranne

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