4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one

Base Information

• Chemical Name: 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one
• CAS No.: 147723-40-8
• Molecular Formula: C₁₇H₁₅NO₅
• Molecular Weight: 313.31
• DSSTox Substance ID: DTXSID801319975
• ChEMBL ID: CHEMBL1372331
• Mol file: 147723-40-8.mol

Synonyms:4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one;CBMicro_015998;MLS000711718;SCHEMBL8299832;SCHEMBL8302481;CHEMBL1372331;DTXSID801319975;HMS2660P20;STK839223;AKOS000675010;147723-40-8;SMR000281485;BIM-0015937.P001;EU-0038631;3-(5-methyl-2-furyl)-5-nitro-2-(3-oxobutyl)benzofuran

Chemical Property of 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one

Chemical Property:

• Melting Point: 121 - 122 °C (hexane)
• Boiling Point: 320.5±30.0 °C(Predicted)
• PSA: 89.17000
• Density: 1.276±0.06 g/cm3(Predicted)
• LogP: 4.95420
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 313.09502258
• Heavy Atom Count: 23
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CCC(=O)C

Technology Process of 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one

There total 1 articles about 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one 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: 18.0%

2-methylfuran (534-22-5) + 5-Nitrosalicylaldehyde (97-51-8) → 5,6-dihydro-2,4-dimethyl-4-(5-methyl-2-furyl)-10-nitro-4H-benzofuro<2,3-h>cycloheptafuran + 2-<3,3-bis(5-methyl-2-furyl)butyl>-3-(5-methyl-2-furyl)-5-nitrobenzofuran + 4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one (147723-40-8) + 2-(bis(5-methylfuran-2-yl)methyl)-4-nitrophenol (147723-39-5)

Guidance literature:

With perchloric acid; acetic acid; In benzene; for 2h; Heating;

DOI:10.1007/BF00534462

upstream raw materials:

2-methylfuran

5-Nitrosalicylaldehyde