1,1-Diethyl-3-(4-methoxyphenyl)urea

Base Information

• Chemical Name: 1,1-Diethyl-3-(4-methoxyphenyl)urea
• CAS No.: 56015-84-0
• Molecular Formula: C12H18 N2 O2
• Molecular Weight: 222.2835
• Hs Code.: 2924299090
• European Community (EC) Number: 666-685-9
• DSSTox Substance ID: DTXSID90382827
• Nikkaji Number: J916.431F
• Wikidata: Q82174279
• Mol file: 56015-84-0.mol

Synonyms:1,1-diethyl-3-(4-methoxyphenyl)urea;56015-84-0;N,N-diethyl-N'-(4-methoxyphenyl)urea;N,N-diethyl-N'-(4-methoxyphenyl)-Urea;Urea, N,N-diethyl-N''''-(4-Methoxyphenyl)-;Maybridge4_000415;F3230-0240;DTXSID90382827;HMS1522C19;AKOS002265682;CCG-234091;IDI1_030997;NCGC00177605-01;CS-0298099;FT-0748192;VU0606153-1;A18909;AP-124/43382930;BRD-K15053686-001-01-6;Z104654026

Chemical Property of 1,1-Diethyl-3-(4-methoxyphenyl)urea

Chemical Property:

• Vapor Pressure: 2.43E-06mmHg at 25°C
• Boiling Point: 391.6°Cat760mmHg
• Flash Point: 190.6°C
• PSA: 41.57000
• Density: 1.093g/cm³
• LogP: 2.64190
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.136827821
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

1,1-DIETHYL-3-(4-METHOXYPHENYL)UREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)NC1=CC=C(C=C1)OC

Technology Process of 1,1-Diethyl-3-(4-methoxyphenyl)urea

There total 8 articles about 1,1-Diethyl-3-(4-methoxyphenyl)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: 87.9%

4-Methoxyphenyl isocyanate (5416-93-3) + diethylamine (109-89-7) → N,N-diethyl-N'-(4-methoxyphenyl)urea (56015-84-0)

Guidance literature:

In benzene; for 0.5h;

DOI:10.3987/COM-97-8038

Reference yield: 83.0%

carbon monoxide (201230-82-2) + 4-methoxy-aniline (104-94-9) + diethylamine (109-89-7) → N,N-diethyl-N'-(4-methoxyphenyl)urea (56015-84-0)

Guidance literature:

carbon monoxide; 4-methoxy-aniline; diethylamine; With sulfur; In N,N-dimethyl-formamide; at 20 ℃; for 16h; under 750.075 Torr; Inert atmosphere;

With oxygen; In N,N-dimethyl-formamide; at 20 ℃; for 6h; under 750.075 Torr;

DOI:10.1055/s-0029-1216863

Reference yield: 55.0%

4-methoxy-aniline (104-94-9) + N,N-diethylcarbamyl chloride (88-10-8) → N,N-diethyl-N'-(4-methoxyphenyl)urea (56015-84-0)

Guidance literature:

With pyridine; In dichloromethane; Heating;

DOI:10.1021/jo9604550

upstream raw materials:

4-methoxy-aniline

N,N-diethylcarbamyl chloride

4-Methoxyphenyl isocyanate

diethylamine

Downstream raw materials:

C₂₄H₃₄N₄O₃

N,N-Diethyl-N'-(4-methoxy-phenyl)-chlorameisensaeure-amidin

Refernces

• 1、 Kathiravan, Subban,Nicholls, Ian A.. "Rhodium(iii)-catalysed aerobic synthesis of highly functionalized indoles from N-arylurea under mild conditions through C-H activation". supporting information. p. 14964 - 14967. Retrieved 2014/12/11.
• 2、 Groszek, Grazyna. "A convenient method of synthesis of unsymmetrical urea derivatives". . p. 759 - 761. Retrieved 2013/09/06.