634-95-7

Basic information

• Product Name: N,N-Diethylurea
• Synonyms: Urea,1,1-diethyl- (6CI,7CI,8CI); 1,1-Diethylurea; N,N-Diethylurea; NSC 165657;asym-Diethylurea
• CAS NO: 634-95-7
• Molecular Formula: C₅H₁₂N₂O
• Molecular Weight: 116.19
• EINECS: 211-220-3
• Mol File: 634-95-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 174.8 °C at 760 mmHg
• Flash Point: 59.5 °C
• Appearance: light yellow powder.
• Density: 0.975 g/cm³
• CAS DataBase Reference: N,N-Diethylurea(CAS DataBase Reference)
• NIST Chemistry Reference: N,N-Diethylurea(634-95-7)
• EPA Substance Registry System: N,N-Diethylurea(634-95-7)

Safety Data

• Hazardous Substances Data: 634-95-7(Hazardous Substances Data)

Usage

General Description

N,N-Diethylurea is an organic compound with the chemical formula C5H12N2O. It is a colorless liquid with a slightly sweet odor, and it is commonly used as an intermediate in the production of pharmaceuticals, pesticides, and other organic compounds. N,N-Diethylurea is also used as a catalyst for the synthesis of various organic reactions, and it can be used as a solvent for the extraction of certain compounds. Additionally, it has been studied for its potential applications in lithium battery electrolytes and as an inhibitor of metal corrosion. Overall, N,N-Diethylurea has a variety of industrial and research applications due to its versatile chemical properties.

InChI:InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)

Upstream product

• 69724-40-9 N,N',N''-triethyl-guanidine 
• 58328-35-1 N-benzoyl-N',N'-diethylurea 
• 124-41-4 sodium methylate 
• 58078-34-5 trimethylsilyl carbamate 
• 109-89-7 diethylamine 
• 420-05-3 cyanic acid 
• 7732-18-5 water 
• 74739-00-7 N'-benzylidene-N,N-diethylurea 
• 590-28-3 potassium cyanate 
• 660-68-4 diethyl amine hydrochloride 
• 67969-82-8 tetrafluoroboric acid diethyl ether 
• 617-83-4 Diethylcyanamide 
• 39981-78-7 Trisformamoylhydrazin 
• 556-89-8 nitrourea 

Downstream Products

• 100384-94-9 N,N'-bis-diethylcarbamoyl-oxalamide 
• 18240-93-2 1,1-diethylguanidine 
• 49540-32-1 N-nitroso-1,3-diethylurea 
• 108-80-5 isocyanuric acid 
• 20503-90-6 (4,5-diphenyl-oxazol-2-yl)-diethyl-amine 
• 141564-69-4 3-{[tert-Butyl-(3,3-diethyl-ureidomethyl)-amino]-methyl}-1,1-diethyl-urea 
• 617-83-4 Diethylcyanamide 
• 104417-77-8 1,1-Dibenzoyl-3,3-diethylharnstoff 
• 155270-99-8 istradefylline 
• 89073-60-9 6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione 
• 52998-22-8 5,6-diamino-1,3-diethyluracil 
• 187393-68-6 (E)-N-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)propenamide 
• 155270-98-7 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 
• 41740-15-2 6-amino-1,3-diethyluracil 

Relevant articles and documents

Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights

The synthesis of a large variety of ureas R1R2NC(O)NH2 (R1 and R2 = alkyl, aryl or H; 26 examples) was successfully accomplished by hydration of the corresponding cyanamides R1R2NCN using the phosphinous acid-based complexes [MCl2(η6-p-cymene)(PMe2OH)] (M = Ru (1), Os (2)) as catalysts. The reactions proceeded cleanly under mild conditions (40-70 °C), in the absence of any additive, employing low metal loadings (1 molpercent) and water as the sole solvent. In almost all the cases, the osmium complex 2 featured a superior reactivity in comparison to that of its ruthenium counterpart 1. In addition, for both catalysts, the reaction rates observed for the hydration of the cyanamide substrates were remarkably faster than those involving classical aliphatic and aromatic nitriles. Computational studies allowed us to rationalize all these trends. Thus, the calculations indicated that the presence of a nitrogen atom directly linked to the CN bond depopulates electronically the nitrile carbon by inductive effect when coordinated to the metal center, thus favouring the intramolecular nucleophilic attack of the OH group of the phosphinous acid ligand to this carbon. On the other hand, the higher reactivity of Os vs. Ru seems to be related with the lower ring strain on the incipient metallacycle that starts to form in the transition state associated with this key step in the catalytic cycle. Indirect experimental evidence of the generation of the metallacyclic intermediates was obtained by studying the reactivity of [RuCl2(η6-p-cymene)(PMe2OH)] (1) towards dimethylcyanamide in methanol and ethanol. The reactions afforded compounds [RuCl(η6-p-cymene)(PMe2OR)(NCNMe2)][SbF6] (R = Me (5a), Et (5b)), resulting from the alcoholysis of the metallacycle, which could be characterized by single-crystal X-ray diffraction. This journal is

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