1,1,3-Triethylurea

Base Information

• Chemical Name: 1,1,3-Triethylurea
• CAS No.: 19006-59-8
• Molecular Formula: C7H16N2O
• Molecular Weight: 144.217
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID20172470
• Nikkaji Number: J48.976J
• Wikidata: Q83042577
• Mol file: 19006-59-8.mol

Synonyms:1,1,3-Triethylurea;19006-59-8;Urea, triethyl-;UREA, 1,1,3-TRIETHYL-;1,1,3-Triaethylharnstoff;Urea, N,N,N'-triethyl-;BRN 1755154;1,3,3-triethylurea;1,1,3-Triaethylharnstoff [German];Triethylurea;Triathylharnstoff;N,N,N'-Triethylurea;SCHEMBL969221;SCHEMBL3777622;DTXSID20172470;HJKYLTYAGGYRAZ-UHFFFAOYSA-N;AKOS006221666;AS-57636;LS-160765

Chemical Property of 1,1,3-Triethylurea

Chemical Property:

• Vapor Pressure: 0.00521mmHg at 25°C
• Boiling Point: 275.1°Cat760mmHg
• Flash Point: 120.2°C
• PSA: 35.83000
• Density: 0.916g/cm³
• LogP: 1.26210
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 144.126263138
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

1,1,3-TRIETHYLUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)N(CC)CC

Technology Process of 1,1,3-Triethylurea

There total 5 articles about 1,1,3-Triethylurea 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: 84.0%

ethanamine hydrochloride (557-66-4) + N,N-diethylcarbamyl chloride (88-10-8) → 1,1-diethyl-3-ethylurea (19006-59-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/acs.joc.6b00733

Reference yield:

N-Nitroso-N,N',N'-triethylurea (50285-70-6) → ethyl 2-diethylaminopropanoate (82614-48-0) + ethyl N,N-diethylcarbamate (3553-80-8) + 1,1-diethyl-3-ethylurea (19006-59-8)

Guidance literature:

In ethanol; at 85 ℃; for 2h; Product distribution; other trialkylnitrosoureas; various solvents (neat, protic or aprotic), temperatures and reaction times; addition of CuCl;

DOI:10.1021/jo00141a007

Reference yield:

ethylamine (75-04-7,85404-22-4) + N,N-diethylcarbamyl chloride (88-10-8) → 1,1-diethyl-3-ethylurea (19006-59-8)

Guidance literature:

With diethyl ether;

upstream raw materials:

ethylamine

N,N-diethylcarbamyl chloride

diethylamine

ethyl isocyanate

Refernces

• 1、 McDonald, Chriss E.,Ramsey, Jeremy D.,McAtee, Christopher C.,Mauck, Joseph R.,Hale, Erin M.,Cumens, Justin A.. "The Use of Ureates as Activators for Samarium Diiodide". . p. 5903 - 5914. Retrieved 2016/07/23.