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| CAS No.: | 685-91-6 |
|---|---|
| Name: | Diethylacetamide |
| Molecular Structure: | |
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| Formula: | C6H13NO |
| Molecular Weight: | 115.175 |
| Synonyms: | DEA;N,N-Diethylacetamide;N,N-Diethylethanamide;NSC 101; |
| EINECS: | 211-685-2 |
| Density: | 0.873 g/cm3 |
| Melting Point: | LESS THAN 20ºC |
| Boiling Point: | 185.499 °C at 760 mmHg |
| Flash Point: | 69.316 °C |
| Solubility: | Soluble in water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-27-36/37/39-45 |
| PSA: | 20.31000 |
| LogP: | 0.87470 |
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- 124089-63-0
ethyl 2,4-dinitrophenylacetoacetate
- 109-89-7
diethylamine
A
- 685-91-6
diethylacetamide
B
- 68084-17-3
α-(2,4-dinitrophenyl)ethyl acetate
| Conditions | Yield |
|---|---|
| In chloroform at 80℃; for 48h; | A 100% B n/a |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; potassium carbonate In dichloromethane for 9h; Inert atmosphere; Irradiation; | 100% |
| Conditions | Yield |
|---|---|
| With immobilization of Candida cylindracea lipase In hexane at 55℃; for 12h; | 99% |
| Conditions | Yield |
|---|---|
| With Cu 20%, Co 6%, Mn 4%, Mo 5%, Ag 0000.2%, alkaline earth metal 5%, rare earth metal 2% at 30 - 50℃; Temperature; | 98.5% |
| Conditions | Yield |
|---|---|
| With nickel dichloride at 20℃; for 0.166667h; Neat (no solvent); | 97% |
| at 100℃; for 3h; Condensation; | 91% |
| ZSM-35 zeolite In acetonitrile for 2h; Heating; | 89.2% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 25℃; for 13.5h; Inert atmosphere; | 96.5% |
| Conditions | Yield |
|---|---|
| With aluminium trichloride In dichloromethane at 25℃; for 3.5h; | 94% |
| Conditions | Yield |
|---|---|
| With [Zn(BH4)2(py)] In tetrahydrofuran for 0.25h; Heating; | 94% |
- 42582-53-6
trans-PdMe(I)(PMePh2)2
- 201230-82-2
carbon monoxide
- 109-89-7
diethylamine
A
- 685-91-6
diethylacetamide
B
- 22381-21-1
N,N-diethyl-2-oxo-propanamide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran 10 atm CO pressure, magnetically stirred at room temp. for 1 day, totalyield: 95%; | A 7% B 93% |
| In tetrahydrofuran 1 atm CO pressure, magnetically stirred at room temp. for 1 day, total yield: 51%; | A 21% B 79% |
| Conditions | Yield |
|---|---|
| With aluminium trichloride In dichloromethane at 90℃; for 20h; | 92% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The N,N-Diethylacetamide is an organic compound with the formula C6H13NO. The IUPAC name of this chemical is N,N-diethylacetamide. With the CAS registry number 685-91-6, it is also named as Acetic acid diethylamide. The product's classification code is Tumor data. Besides, it is a clear colorless liquid, which should be stored in a closed cool and dry place. It is used as a pharmaceutical intermediate.
Physical properties about N,N-Diethylacetamide are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): 0.32; (4)ACD/BCF (pH 5.5): 1.02; (5)ACD/BCF (pH 7.4): 1.02; (6)ACD/KOC (pH 5.5): 35.41; (7)ACD/KOC (pH 7.4): 35.41; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 33.59 cm3; (13)Molar Volume: 131.9 cm3; (14)Polarizability: 13.31×10-24cm3; (15)Surface Tension: 27.3 dyne/cm; (16)Density: 0.872 g/cm3; (17)Flash Point: 69.3 °C; (18)Enthalpy of Vaporization: 42.17 kJ/mol; (19)Boiling Point: 185.5 °C at 760 mmHg; (20)Vapour Pressure: 0.695 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and diethylamine. This reaction is a kind of Condensation. The reaction time is 3 hours with reaction temperature of 100 °C. The yield is about 91%.
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Uses of N,N-Diethylacetamide: it can be used to produce N,N-diethyl-thioacetamide. It will need reagent xylene and phosphorus (V)-sulfide.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(CC)CC)C
(2)InChI: InChI=1/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
(3)InChIKey: AJFDBNQQDYLMJN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
(5)Std. InChIKey: AJFDBNQQDYLMJN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | intravenous | 1gm/kg (1000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1571, 1978. |
| chicken | LDLo | intravenous | 3900mg/kg (3900mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1242, 1970. | |
| dog | LDLo | intravenous | 1gm/kg (1000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1571, 1978. |
| mouse | LD50 | intraperitoneal | 1600mg/kg (1600mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE | Pharmacology and Therapeutics. Vol. 5, Pg. 467, 1979. |
| rabbit | LDLo | intravenous | 1920mg/kg (1920mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1242, 1970. | |
| rat | LD50 | intraperitoneal | 1840mg/kg (1840mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1242, 1970. | |
| rat | LD50 | unreported | 1500mg/kg (1500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1073, 1969. | |
| rat | LDLo | intravenous | 1gm/kg (1000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1571, 1978. |