ethylamine
S-methyl N-ethylthiocarbamate
A
methylthiol
B
N,N'-diethylurea
Conditions | Yield |
---|---|
In water at 40℃; for 8h; | A n/a B 100% |
Conditions | Yield |
---|---|
With water; triethylamine In 1,4-dioxane at 20℃; for 0.05h; | 98.5% |
With Ta(η5-C5Me5)(η3-1-phenylallyl)2 In toluene for 12h; Ambient temperature; | 63% |
durch Zersetzung mit Wasser; | |
With hydrogen sulfide |
Conditions | Yield |
---|---|
In water at 60℃; for 5h; | 96% |
at 100℃; |
carbon monoxide
benzenenesulfenyl dimethylamine
A
N,N'-diethylurea
B
N,N,N',N'-tetraethyloxamide
C
diethylamine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In pyridine at 80℃; under 14701.2 Torr; for 10h; Carbonylation; | A n/a B 1.4 % Spectr. C 3 % Spectr. D 90% |
Conditions | Yield |
---|---|
With cerium(III) chloride; potassium iodide In water for 0.0666667h; microwave irradiation; | 87% |
at 140 - 150℃; Neat (no solvent); |
carbon monoxide
A
N,N'-diethylurea
B
N,N,N',N'-tetraethyloxamide
C
diethylamine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In pyridine at 80℃; under 14701.2 Torr; for 3h; Carbonylation; | A n/a B 1.4 % Spectr. C 3 % Spectr. D 81% |
N-Methylhydroxylamine
ethyl isocyanate
A
1-ethyl-3-methylurea
B
N,N'-diethylurea
Conditions | Yield |
---|---|
Stage #1: N-Methylhydroxylamine; ethyl isocyanate With magnesium oxide In acetone at 20℃; for 0.166667h; Stage #2: for 0.0583333h; Microwave irradiation; neat (no solvent); | A 74% B 10% |
A
N,N'-diethylurea
B
1,2-bis(3-methylbenzo[d]thiazol-2(3H)-ylidene)hydrazine
Conditions | Yield |
---|---|
at 220℃; under 0.5 Torr; for 0.5h; | A 73% B 67% |
N-Phenylhydroxylamine
ethyl isocyanate
A
N,N'-diethylurea
B
1-ethyl-3-phenylurea
Conditions | Yield |
---|---|
Stage #1: N-Phenylhydroxylamine; ethyl isocyanate With magnesium oxide In acetone at 20℃; for 0.166667h; Stage #2: for 0.0666667h; Microwave irradiation; neat (no solvent); | A 9% B 72% |
N-Ethylimidazole
2-cyano-1-phenylacetylene
ethyl isocyanate
A
N,N'-diethylurea
B
N-[(Z)-2-cyano-1-phenylethenyl]-N,1-diethyl-1H-imidazole-2-carboxamide
Conditions | Yield |
---|---|
In neat (no solvent) at 20 - 25℃; for 48h; Green chemistry; stereoselective reaction; | A 31% B 65% |
1-methyl-1H-imidazole
2-cyano-1-phenylacetylene
ethyl isocyanate
A
N,N'-diethylurea
B
(Z)-3-(1-methyl-1H-imidazol-2-yl)-3-phenyl-2-propenenitrile
C
N-[(Z)-2-cyano-1-phenylethenyl]-N-ethyl-1-methyl-1H-imidazole-2-carboxamide
Conditions | Yield |
---|---|
In neat (no solvent) at 20 - 25℃; for 24h; Green chemistry; stereoselective reaction; | A 33% B 10% C 50% |
Conditions | Yield |
---|---|
With hydrogen; In tetrahydrofuran at 120℃; under 37503 Torr; for 40h; | A n/a B 41% |
methanol
carbon monoxide
ethylamine
A
methyl N-ethylcarbamate
B
N,N'-diethylurea
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); triethylamine under 760 Torr; for 4h; Ambient temperature; | A 37% B 18% |
carbon monoxide
ethylamine
A
methyl N-ethylcarbamate
B
N,N'-diethylurea
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); triethylamine In methanol under 760 Torr; for 4h; Ambient temperature; | A 37% B 18% |
2-cyano-1-phenylacetylene
1-allylimidazole
ethyl isocyanate
A
N,N'-diethylurea
B
(Z)-3-(1-allyl-1H-imidazol-2-yl)-3-phenyl-2-propenenitrile
C
1-allyl-N-[(Z)-2-cyano-1-phenylethenyl]-N-ethyl-1H-imidazole-2-carboxamide
Conditions | Yield |
---|---|
In neat (no solvent) at 20 - 25℃; for 24h; Green chemistry; stereoselective reaction; | A 31% B 37% C 28% |
Conditions | Yield |
---|---|
With oxygen; sodium hydroxide In water at 10℃; for 5h; Irradiation; | 14% |
Conditions | Yield |
---|---|
With ethanol |
ethylcarbamic 2-hydroxyethylester
N,N'-diethylurea
Conditions | Yield |
---|---|
beim Erhitzen; |
N',N'''-diethyl-N,N''-m-phenylene-di-urea
N,N'-diethylurea
Conditions | Yield |
---|---|
at 230℃; |
N-ethyl-N'-biphenyl-4-yl-urea
A
N,N'-diethylurea
B
1,3-di([1,1'-biphenyl]-4-yl)urea
Conditions | Yield |
---|---|
at 290℃; |
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With ethanol |
Conditions | Yield |
---|---|
at 160 - 170℃; | |
at 150 - 170℃; |
Conditions | Yield |
---|---|
With hydrogenchloride |
1,3-diethyluracil
N,N'-diethylurea
Conditions | Yield |
---|---|
With tetramethyl ammoniumhydroxide In dimethyl sulfoxide |
Conditions | Yield |
---|---|
(i) IF5, Py, (ii) /BRN= 505933/, benzene; Multistep reaction; |
Conditions | Yield |
---|---|
With sulfur at 120℃; | |
With iodine; potassium carbonate; palladium diacetate In acetonitrile at 95℃; under 2052 Torr; for 3h; | 75 % Chromat. |
N-ethyl-N'-hydroxyurea
A
N,N'-diethylurea
B
N-ethyl-N'-ethylaminocarbonyloxyurea
C
ethylamine
Conditions | Yield |
---|---|
In acetonitrile Product distribution; Mechanism; Electrolysis of N-hydroxy- or N-alkoxy-ureas; the effect of divided or undivided cell and the excess of ethylamine or isopropylamine.; |
N,N'-diethylurea
(E)-1-(buta-1,3-dien-1-yl)-4-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); p-benzoquinone In 1,2-dimethoxyethane at 60℃; for 48h; | 100% |
N,N'-diethylurea
(E)-1-Phenyl-1,3-butadiene
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); p-benzoquinone In 1,2-dimethoxyethane at 60℃; for 24h; | 99% |
Conditions | Yield |
---|---|
With acetic anhydride; acetic acid at 60℃; for 6h; | 97% |
Stage #1: N,N'-diethylurea; malonic acid With acetic anhydride; acetic acid at 60℃; for 6h; Stage #2: In water at 70℃; for 0.5h; | 65% |
Conditions | Yield |
---|---|
In 1,4-dioxane at 100 - 105℃; for 4h; Temperature; | 95.8% |
N-methylene-tert-butylamine
N,N'-diethylurea
5-tert-Butyl-1,3-diethyl-[1,3,5]triazinan-2-one
Conditions | Yield |
---|---|
for 4h; Heating; | 94% |
Conditions | Yield |
---|---|
Stage #1: N,N'-diethylurea; cyanoacetic acid In acetic anhydride at 75 - 85℃; for 2h; Inert atmosphere; Large scale; Stage #2: With sodium hydroxide at 5 - 10℃; for 1h; Large scale; | 93.3% |
With acetic anhydride at 80℃; for 2h; | 88% |
Stage #1: N,N'-diethylurea; cyanoacetic acid With acetic anhydride at 60℃; for 0.166667h; microwave irradiation; Stage #2: With sodium hydroxide In ethanol at 20℃; | 70% |
pyrimidine-2,4,5,6(1H,3H)-tetraone
N,N'-diethylurea
1,3-diethyl-4-hydroxy-2,5-dioxo-imidazolidine-4-carboxylic acid carbamoylamide
Conditions | Yield |
---|---|
In water at 90℃; | 93% |
With water |
N,N'-diethylurea
Conditions | Yield |
---|---|
With zinc trifluoromethanesulfonate In acetonitrile at 100℃; for 2h; Inert atmosphere; Molecular sieve; Sealed vial; | 93% |
N,N'-diethylurea
(E)-3,4-dimethoxycinnamic chloride
istradefylline
Conditions | Yield |
---|---|
Stage #1: N,N'-diethylurea; ethyl 2-methylaminocyanoacetate In 1,4-dioxane at 95 - 100℃; for 5h; Stage #2: With potassium hydroxide at 10 - 95℃; for 3h; Stage #3: (E)-3,4-dimethoxycinnamic chloride With triethylamine In 1,4-dioxane at 10 - 45℃; for 5h; Temperature; | 90.9% |
Glyoxal
N,N'-diethylurea
1,3-diethyl-4,5-dihydroxyimidazolidin-2-one
Conditions | Yield |
---|---|
With hydrogenchloride In water at 50℃; for 2h; pH=4 - 4.5; | 90% |
With sodium hydroxide at 50℃; for 7h; pH 5; | 60% |
Conditions | Yield |
---|---|
With sulfuric acid; lithium bromide; bis(triphenylphosphine)palladium dibromide In 1-methyl-pyrrolidin-2-one at 100℃; under 45003.6 Torr; for 12h; Cyclization; | 89% |
Conditions | Yield |
---|---|
With benzene at 20℃; | 85% |
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); p-benzoquinone In 1,2-dimethoxyethane at 60℃; for 24h; | 82% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetonitrile at 80℃; for 5h; | 82% |
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); p-benzoquinone In 1,2-dimethoxyethane at 60℃; for 24h; Title compound not separated from byproducts; | A 81% B n/a |
dibromomethylborane
N,N'-diethylurea
A
3,5-Diethyl-2,3,5,6-tetrahydro-2,6-dimethyl-4H-1,3,5,2,6-oxadiazadiborin-4-on
Conditions | Yield |
---|---|
In tetrachloromethane byproducts: HBr; edducts refluxed under N2 in 1:1 ratio for 24 h; evapd. in vac., distd. in vac., elem. anal.; | A n/a B 81% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetonitrile at 80℃; for 5h; | 81% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetonitrile at 80℃; for 5h; | 81% |
N,N'-diethylurea
ethylnitramine
Conditions | Yield |
---|---|
With fuming sulphuric acid; nitric acid In dichloromethane at -5 - 20℃; for 1h; Temperature; | 80.6% |
formaldehyd
N,N'-diethylurea
H-Phe-OEt
(S)-2-(3,5-Diethyl-4-oxo-[1,3,5]triazinan-1-yl)-3-phenyl-propionic acid ethyl ester
Conditions | Yield |
---|---|
In water at 70 - 110℃; | 80% |
formaldehyd
N,N'-diethylurea
L-serine ethyl ester hydrochloride
5-<1-(S)-(1-Carbethoxy-2-hydroxy)ethyl>-1,3-diethyl-hexahydro-2-oxo-1,3,5-triazine
Conditions | Yield |
---|---|
With triethylamine In ethanol; water for 20h; Heating; | 80% |
N,N'-diethylurea
(E)-1-(buta-1,3-diene-1-yl)-4-methoxybenzene
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); p-benzoquinone In 1,2-dimethoxyethane at 60℃; for 24h; | 80% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetonitrile at 80℃; for 5h; | 80% |
dibromomethylborane
N,N'-diethylurea
A
tributyl borane
B
3,5-Diethyl-2,3,5,6-tetrahydro-2,6-dimethyl-4H-1,3,5,2,6-oxadiazadiborin-4-on
Conditions | Yield |
---|---|
With n-butyllithium In hexane; Petroleum ether byproducts: butane, LiBr; the urea in petroleum ether was refluxed under N2 with n-BuLi in hexanefor 48 h; the solvents were removed in vac., the residue was fractional distd.; elem. anal.; | A n/a B 79% |
The Urea, N, N'-diethyl-, with the CAS registry number of 623-76-7, is also known as 1, 3-Diethyl-ure. It belongs to the product categories of Carbonyl Compounds; Organic Building Blocks; Ureas. Its EINECS registry number is 210-811-3. This chemical's molecular formula is C5H12N2O and molecular weight is 116.16. What's more, its IUPAC name is 1, 3-Diethylurea. This chemical's classification code is Mutation data. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant, alkali, ignition source.
Physical properties about Urea, N, N'-diethyl- are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.28; (8)ACD/KOC (pH 7.4): 25.28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 32.43 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 12.85×10-24 cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.923 g/cm3; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 50.08 kJ/mol; (21)Boiling Point: 263 °C at 760 mmHg; (22)Vapour Pressure: 0.0106 mmHg at 25 °C; (23)Melting Point: 112-113 °C(lit. ).
Preparation: this chemical is prepared by Isocyanatoethane. The reaction needs reagent H2 and solvent Tetrahydrofuran. The reaction time is 40 hours with reaction temperature of 120 °C. The yield is about 41 %.
Uses: it is used to produce other chemicals. For example, it is used to produce 1, 3-Diethyl-4-hydroxy-2, 5-dioxo-imidazolidine-4-carboxylic acid carbamoylamide. This reaction needs solvent H2O. The reaction temperature is 90 °C. The yield is about 93 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes. In addition, this chemical is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Besides, this chemical is highly flammable, it may catch fire in contact with an ignition source. What's more, it must be stored in airtight containers and placed in a cool, well-ventilated place.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC)NCC
(2) InChI: InChI=1/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
(3) InChIKey: ZWAVGZYKJNOTPX-UHFFFAOYAT
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 3195mg/kg (3195mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935. |
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View