5-Nitro-1,3-dihydroisobenzofuran

Base Information

• Chemical Name: 5-Nitro-1,3-dihydroisobenzofuran
• CAS No.: 52771-99-0
• Molecular Formula: C₈H₇NO₃
• Molecular Weight: 165.148
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50498554
• Wikidata: Q72494649
• Mol file: 52771-99-0.mol

Synonyms:5-Nitro-1,3-dihydroisobenzofuran;52771-99-0;5-Nitro-1,3-dihydro-2-benzofuran;MFCD09842489;NAPHTHOLYELLOWS;SCHEMBL3213966;DTXSID50498554;AKOS006311085;AM806285;AS-61048;SY059265;CS-0038795;FT-0651328;A898243

Chemical Property of 5-Nitro-1,3-dihydroisobenzofuran

Chemical Property:

• Vapor Pressure: 0.00226mmHg at 25°C
• Melting Point: 90-92 ºC
• Refractive Index: 1.607
• Boiling Point: 298 ºC
• Flash Point: 155 ºC
• PSA: 55.05000
• Density: 1.360g/cm³
• LogP: 2.14820
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

5-Nitro-1,3-dihydroisobenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(CO1)C=C(C=C2)[N+](=O)[O-]

Technology Process of 5-Nitro-1,3-dihydroisobenzofuran

There total 3 articles about 5-Nitro-1,3-dihydroisobenzofuran 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%

1,3-dihydroisobenzofuran (496-14-0) → 5-nitro-1,3-dihydroisobenzofuran (52771-99-0)

Guidance literature:

With sulfuric acid; potassium nitrate; for 0.5h; Cooling with ice;

Reference yield: 58.0%

sodium 2-chloro-5-nitrobenzyloxymethyl trifluoroborate (1013915-62-2) → 5-nitro-1,3-dihydroisobenzofuran (52771-99-0)

Guidance literature:

With caesium carbonate; bis(tri-tert-butylphosphine)palladium⁽⁰⁾; In 1,4-dioxane; water; at 20 - 100 ℃;

Reference yield:

→ 5-nitro-1,3-dihydroisobenzofuran (52771-99-0)

Guidance literature:

6-Nitro-1H-2,3-benzoxazin-4(3H)-on + HBr (48percentig.) bei Siedetemp.;

DOI:10.1016/S0040-4020(01)82130-X

upstream raw materials:

1,3-dihydroisobenzofuran

sodium 2-chloro-5-nitrobenzyloxymethyl trifluoroborate

Downstream raw materials:

1,3-dihydro-isobenzofuran-5-ylamine

Refernces

• 1、 -. "FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING BY USING THE SAME". Page/Page column 19. . Retrieved 2009/06/27.
• 2、 Clark,Pessolano,Shen,Jacobus,Jones,Lotti,Flataker. "Synthesis and analgesic activity of 1,3-dihydro-3-(substituted phenyl)imidazo[4,5-6]pyridin-2-ones and 3-(substituted phenyl)-1,2,3-triazolo[4,5-b]pyridines". . p. 965 - 978. Retrieved 2007/10/05.