2-[Bis(5-methylfuran-2-yl)methyl]-4-nitrophenol

Base Information

• Chemical Name: 2-[Bis(5-methylfuran-2-yl)methyl]-4-nitrophenol
• CAS No.: 147723-39-5
• Molecular Formula: C₁₇H₁₅NO₅
• Molecular Weight: 313.31
• DSSTox Substance ID: DTXSID201241841
• Mol file: 147723-39-5.mol

Synonyms:2-[bis(5-methylfuran-2-yl)methyl]-4-nitrophenol;147723-39-5;DTXSID201241841;STK873993;AKOS000674789;2-[bis(5-methyl-2-furyl)methyl]-4-nitrophenol;2-[Bis(5-methyl-2-furanyl)methyl]-4-nitrophenol;SR-01000480644;SR-01000480644-1;5-nitro-2-hydroxyphenylbis(5-methyl-2-furyl)methane

Chemical Property of 2-[Bis(5-methylfuran-2-yl)methyl]-4-nitrophenol

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 313.09502258
• Heavy Atom Count: 23
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=C(C=CC(=C3)[N+](=O)[O-])O

Technology Process of 2-[Bis(5-methylfuran-2-yl)methyl]-4-nitrophenol

There total 3 articles about 2-[Bis(5-methylfuran-2-yl)methyl]-4-nitrophenol 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: 78.0%

2-methylfuran (534-22-5) + 1-(2-hydroxy-5-nitrophenyl)ethanone (1450-76-6) → 2-(bis(5-methylfuran-2-yl)methyl)-4-nitrophenol (147723-39-5)

Guidance literature:

1-(2-hydroxy-5-nitrophenyl)ethanone; With selenium(IV) oxide; ytterbium(III) chloride; In water; dimethyl sulfoxide; at 110 ℃; for 15h; Green chemistry;

2-methylfuran; In water; dimethyl sulfoxide; at 70 ℃; for 0.166667h; Green chemistry;

DOI:10.1055/s-0035-1560808

Reference yield: 65.0%

2-methylfuran (534-22-5) + 5-Nitrosalicylaldehyde (97-51-8) → 2-(bis(5-methylfuran-2-yl)methyl)-4-nitrophenol (147723-39-5)

Guidance literature:

With chloro-trimethyl-silane; In benzene; for 1h; Heating; further reagents HClO₄, B₂O₃, PhB(OH)2;

DOI:10.1007/BF01165435

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

1-(2-hydroxy-5-nitrophenyl)ethanone