1,1-Diethyl-3-phenylurea

Base Information

• Chemical Name: 1,1-Diethyl-3-phenylurea
• CAS No.: 1014-72-8
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40143905
• Nikkaji Number: J103.929F
• Wikidata: Q83007944
• ChEMBL ID: CHEMBL2235378
• Mol file: 1014-72-8.mol

Synonyms:1,1-Diethyl-3-phenylurea;N,N-Diethyl-N'-phenylurea;1014-72-8;UREA, 1,1-DIETHYL-3-PHENYL-;BRN 2094731;Urea, N,N-diethyl-N'-phenyl-;4-12-00-00736 (Beilstein Handbook Reference);1-Phenyl-3,3-diethylurea;1-phenyl-3, 3-diethylurea;N',N'-Diethyl-N-phenylurea;N,N-Diethyl-N'-phenylurea #;SCHEMBL7095263;CHEMBL2235378;DTXSID40143905;STK367091;AKOS003409392;LS-159813

Chemical Property of 1,1-Diethyl-3-phenylurea

Chemical Property:

• Vapor Pressure: 3.56E-05mmHg at 25°C
• Boiling Point: 353.6°C at 760 mmHg
• Flash Point: 167.6°C
• PSA: 35.83000
• Density: 1.072g/cm³
• LogP: 2.57390
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

1,1-DIETHYL-3-PHENYLUREA 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=CC=C1

Technology Process of 1,1-Diethyl-3-phenylurea

There total 49 articles about 1,1-Diethyl-3-phenylurea 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: 99.0%

phenyl isocyanate (103-71-9) + diethylamine (109-89-7) → 1-phenyl-3,3-diethylurea (1014-72-8)

Guidance literature:

With [{Ph₂P(Se)NCH₂CH₂NPPh₂(Se)}Ti(NMe₂)₂]; In toluene; at 25 ℃; for 1h; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1039/c6dt03063g

Reference yield: 98.0%

N,N-diethylcarbamyl chloride (88-10-8) + aniline (62-53-3) → 1-phenyl-3,3-diethylurea (1014-72-8)

Guidance literature:

In 1,4-dioxane; at 20 ℃;

Reference yield: 95.0%

carbon monoxide (201230-82-2) + lithium anilide (20732-26-7,82959-02-2) + diethylamine (109-89-7) → 1-phenyl-3,3-diethylurea (1014-72-8)

Guidance literature:

carbon monoxide; diethylamine; With selenium; sulfur; In tetrahydrofuran; at 20 ℃; for 24h; under 760 Torr;

With methyl iodide; In tetrahydrofuran; at 20 ℃;

lithium anilide; In tetrahydrofuran; Heating;

DOI:10.1080/00397910008087206

upstream raw materials:

[1,2,4]triazole-1-carboxylic acid anilide

diethylamine

1,2,4,4-tetrachlorohexafluorobutane

1,1-diethyl-3,5-diphenyl-biuret

Downstream raw materials:

N,N-dimethyl-N′,N″-diphenylguanidine

N,N-diethylacetamide

aniline

Zr(C₄H₂NH(2-CH₂NtBu)(5-CH₂NMe₂))(PhNCONEt₂)3

Refernces

• 1、 Naktode, Kishor,Das, Suman,Bhattacharjee, Jayeeta,Nayek, Hari Pada,Panda, Tarun K.. "Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives". . p. 1142 - 1153. Retrieved 2016.
• 2、 Groszek, Grazyna. "A convenient method of synthesis of unsymmetrical urea derivatives". . p. 759 - 761. Retrieved 2002.
• 3、 Capuano, Ben,Crosby, Ian T.,Lloyd, Edward J.,Neve, Juliette E.. "The first aminimide synthesis from benzoyl azide and pyridine". . p. 214 - 217. Retrieved 2007.
• 4、 Deng, Weiseng,Gan, Ziyu,Jiang, Yuan-Ye,Li, Guoqing,Yan, Qiuli,Yang, Daoshan. "Visible-light-promoted oxidative desulphurisation: A strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen". supporting information. p. 2956 - 2962. Retrieved 2020/06/17.
• 5、 Sanabria, Carlos M.,Costa, Bruno B. S.,Viana, Gil M.,De Aguiar, Lúcia C. S.,De Mattos, Marcio C. S.. "Efficient Direct Halogenation of Unsymmetrical N -Benzyl- and N -Phenylureas with Trihaloisocyanuric Acids". supporting information. p. 1359 - 1367. Retrieved 2017/12/26.