N-(2-furylmethyl)-N'-(4-nitrophenyl)urea

Base Information

• Chemical Name: N-(2-furylmethyl)-N'-(4-nitrophenyl)urea
• CAS No.: 154825-26-0
• Molecular Formula: C₁₂H₁₁N₃O₄
• Molecular Weight: 261.237
• European Community (EC) Number: 664-893-4
• NSC Number: 45086
• DSSTox Substance ID: DTXSID001330795
• ChEMBL ID: CHEMBL1330430
• Mol file: 154825-26-0.mol

Synonyms:N-(2-furylmethyl)-N'-(4-nitrophenyl)urea;154825-26-0;1-(furan-2-ylmethyl)-3-(4-nitrophenyl)urea;MLS000736596;SMR000347940;3-(furan-2-ylmethyl)-1-(4-nitrophenyl)urea;NSC45086;1-FURFURYL-3-(4-NITROPHENYL)UREA;MLS001004365;CHEMBL1330430;DTXSID001330795;HMS2695O18;NSC-45086;STL489929;AKOS001022410;CS-0215695;EN300-27786;3-[(furan-2-yl)methyl]-1-(4-nitrophenyl)urea;J-009146;Z44584200

Chemical Property of N-(2-furylmethyl)-N'-(4-nitrophenyl)urea

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 261.07495584
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-FURFURYL-3-(4-NITROPHENYL)UREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-(2-furylmethyl)-N'-(4-nitrophenyl)urea

There total 2 articles about N-(2-furylmethyl)-N'-(4-nitrophenyl)urea 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: 63.0%

p-nitrobenzene iodide (636-98-6) + furan-2-ylmethanamine (617-89-0) + chloroform (67-66-3,8013-54-5) → 1-(furan-2-ylmethyl)-3-(4-nitrophenyl)urea (154825-26-0)

Guidance literature:

With sodium azide; palladium 10% on activated carbon; potassium hydroxide; XPhos; In water; at 60 ℃; for 12h;

DOI:10.1002/adsc.201800954

Reference yield: 43.0%

furan-2-ylmethanamine (617-89-0) + mono-p-nitroanilide of oxalyl acid (103-94-6) → 1-(furan-2-ylmethyl)-3-(4-nitrophenyl)urea (154825-26-0)

Guidance literature:

mono-p-nitroanilide of oxalyl acid; In 1,2-dichloro-ethane; at 25 ℃; for 24h; Irradiation; Sealed tube;

With triethylamine; In 1,2-dichloro-ethane; at 25 ℃;

furan-2-ylmethanamine; In 1,2-dichloro-ethane; at 25 ℃; for 6h;

DOI:10.1016/j.tetlet.2020.151962

upstream raw materials:

p-nitrobenzene iodide

furan-2-ylmethanamine

chloroform

mono-p-nitroanilide of oxalyl acid