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CAS No.: | 617-84-5 |
---|---|
Name: | N,N-Diethylformamide |
Article Data: | 144 |
Molecular Structure: | |
Formula: | C5H11NO |
Molecular Weight: | 101.148 |
Synonyms: | Diethylformamide;N,N-Diethylformamide;N-Formyldiethylamine;NSC 6242; |
EINECS: | 210-533-2 |
Density: | 0.875 g/cm3 |
Melting Point: | 176-177 °C |
Boiling Point: | 177.499 °C at 760 mmHg |
Flash Point: | 69.109 °C |
Solubility: | miscible with ethanol, acetone and benzene. Soluble in alcohol and ether |
Appearance: | clear colorless to pale yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 20.31000 |
LogP: | 1.12050 |
Conditions | Yield |
---|---|
With C21H24N2; phenylsilane In tetrahydrofuran at 20℃; under 750.075 - 2250.23 Torr; for 1.5h; Solvent; Concentration; Reagent/catalyst; Temperature; Time; Inert atmosphere; Glovebox; | 100% |
With phenylsilane at 25℃; under 37503.8 Torr; for 12h; Pressure; Temperature; Autoclave; | 100% |
With Zn(salen); phenylsilane; tetrabutylammomium bromide at 25℃; under 3750.38 Torr; for 15h; Reagent/catalyst; Autoclave; | 99% |
Conditions | Yield |
---|---|
With potassium tetrachloroaurate(III); potassium carbonate In water; acetonitrile at 40℃; for 12h; | 98% |
With sodium hydroxide In water at 25℃; for 6h; | 91% |
With potassium iodide In water Ambient temperature; electrolysis; | 85% |
N-<(trimethylsilyl)methyl>-N,N-diethylamine
N-formyldiethylamine
Conditions | Yield |
---|---|
With copper(I) bromide In acetonitrile at 25℃; for 4h; chemoselective reaction; | 94% |
Conditions | Yield |
---|---|
With Thiamine hydrochloride at 80℃; for 0.5h; | 90% |
With sulfated polyborate In neat (no solvent) at 70℃; for 0.333333h; | 86% |
With silica gel for 0.0236111h; microwave irradiation; | 80% |
N-formyldiethylamine
Conditions | Yield |
---|---|
With hydrogenchloride; diethyl ether In diethyl ether at -78℃; for 0.5h; | 85% |
Conditions | Yield |
---|---|
With Cu/Al2O3; dihydrogen peroxide In water at 25℃; for 24h; Green chemistry; | 83% |
4-tert-butyl-2-(2-nitrophenylazo)phenol
A
2-Methyl-1H-benzimidazole
B
N-formyldiethylamine
C
2-(5-tert-butyl-2-hydroxyphenyl)benzotriazole
D
2-nitro-aniline
Conditions | Yield |
---|---|
With carbon monoxide; triethylamine In 1,2-dichloro-benzene at 200℃; under 60800 Torr; for 8h; Further byproducts given; | A n/a B n/a C 63% D 82% |
bis(diethylamin)nickeldibromid
diethylamine
A
N-formyldiethylamine
B
N,N,N',N'-tetraethylurea
C
N,N,N',N'-tetraethyloxamide
D
diethylamine hydrobromide
E
tetracarbonyl nickel
Conditions | Yield |
---|---|
With carbon monoxide In tetrahydrofuran; diethyl ether reaction in THF/Et2O = 2/1 soln., room temp., under CO (1 bar); | A 7% B 0.5% C 80% D n/a E n/a |
Conditions | Yield |
---|---|
With manganese(IV) oxide; oxygen In chlorobenzene at 100℃; under 4500.45 Torr; for 4h; Autoclave; Green chemistry; | 80% |
With Eosin Y In ethanol at 23℃; Irradiation; | 16% |
With pyridine; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 130℃; under 7500.75 - 30003 Torr; Catalytic behavior; Reagent/catalyst; Pressure; Temperature; Autoclave; |
Conditions | Yield |
---|---|
Ambient temperature; | 78% |
Reported in EPA TSCA Inventory.
The N,N-Diethylformamide, with the CAS registry number 617-84-5, is also known as Diethylformamide. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 210-533-2. This chemical's molecular formula is C5H11NO and molecular weight is 101.15. What's more, its systematic name is N,N-Diethylformamide. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. This chemical is an industrial solvent claimed to have HIV protease inhibitory action. It is used as solvent, corrosion remover and vermifuge.
Physical properties of N,N-Diethylformamide are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.21; (8)ACD/KOC (pH 7.4): 30.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 29.121 cm3; (15)Molar Volume: 115.641 cm3; (16)Polarizability: 11.545×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.875 g/cm3; (19)Flash Point: 69.109 °C; (20)Enthalpy of Vaporization: 41.38 kJ/mol; (21)Boiling Point: 177.499 °C at 760 mmHg; (22)Vapour Pressure: 1.0 mmHg at 25°C.
Preparation: this chemical can be prepared by diethylamine and formaldehyde at the ambient temperature. This reaction will need reagent KI and solvent H2O. The yield is about 85%.
Uses of N,N-Diethylformamide: it can be used to produce Diethyltrifluoromethylamine at the temperature of 150 °C. It will need reagents sulphur tetrafluoride, potassium fluoride with the reaction time of 48 hours. The yield is about 89.5%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CN(CC)CC
(2)Std. InChI: InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
(3)Std. InChIKey: SUAKHGWARZSWIH-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 3200mg/kg (3200mg/kg) | Therapie. Vol. 26, Pg. 409, 1971. | |
rat | LD50 | intraperitoneal | 1740mg/kg (1740mg/kg) | Biochemical Journal. Vol. 85, Pg. 72, 1962. | |
rat | LD50 | unreported | 1740mg/kg (1740mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 330, 1986. |