1,1-Diethyl-3-(3-nitrophenyl)urea

Base Information

• Chemical Name: 1,1-Diethyl-3-(3-nitrophenyl)urea
• CAS No.: 92902-51-7
• Molecular Formula: C₁₁H₁₅N₃O₃
• Molecular Weight: 237.258
• European Community (EC) Number: 666-661-8
• NSC Number: 190805
• DSSTox Substance ID: DTXSID90307358
• Nikkaji Number: J916.432D
• Wikidata: Q82054742
• Mol file: 92902-51-7.mol

Synonyms:1,1-diethyl-3-(3-nitrophenyl)urea;92902-51-7;NSC190805;DTXSID90307358;AKOS024334365;NSC-190805

Chemical Property of 1,1-Diethyl-3-(3-nitrophenyl)urea

Chemical Property:

• Vapor Pressure: 3.76E-07mmHg at 25°C
• Boiling Point: 416.7°C at 760 mmHg
• Flash Point: 205.8°C
• Density: 1.241g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 237.11134135
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of 1,1-Diethyl-3-(3-nitrophenyl)urea

There total 4 articles about 1,1-Diethyl-3-(3-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: 69.5%

isocyanic acid (3-nitro-phenyl) ester (3320-87-4) + diethylamine (109-89-7) → N,N-diethyl-N'-(3-nitro-phenyl)-urea (92902-51-7)

Guidance literature:

In benzene; for 0.5h;

DOI:10.3987/COM-97-8038

Reference yield:

N,N-diethylcarbamyl chloride (88-10-8) + 3-nitro-aniline (99-09-2) → N,N-diethyl-N'-(3-nitro-phenyl)-urea (92902-51-7)

Guidance literature:

With triethylamine;

DOI:10.1246/bcsj.30.444

Reference yield:

4-Nitrophenyl isocyanate (100-28-7) + diethylamine (109-89-7) → N,N-diethyl-N'-(3-nitro-phenyl)-urea (92902-51-7)

Guidance literature:

With benzene;

upstream raw materials:

4-Nitrophenyl isocyanate

diethylamine

N,N-diethylcarbamyl chloride

3-nitro-aniline

Downstream raw materials:

1,3-bis(3-nitrophenyl)urea