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| CAS No.: | 758-96-3 |
|---|---|
| Name: | N,N-Dimethylpropionamide |
| Molecular Structure: | |
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|
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| Formula: | C5H11NO |
| Molecular Weight: | 101.148 |
| Synonyms: | Propionamide,N,N-dimethyl- (6CI,7CI,8CI);DMP; |
| EINECS: | 212-064-9 |
| Density: | 0.876 g/cm3 |
| Melting Point: | -45 °C |
| Boiling Point: | 176 °C at 760 mmHg |
| Flash Point: | 65.8 °C |
| Solubility: | soluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 20.31000 |
| LogP: | 0.48460 |
| Conditions | Yield |
|---|---|
| In methanol for 7h; Heating; | A 87% B 91% |
triethylgermyllithium
N,N-dimethyl acetamide
A
N,N-dimethyl-propanamide
B
Triethylgerman
| Conditions | Yield |
|---|---|
| With methyl iodide In tetrahydrofuran double excess of MeI; not isolated; GLC; | A 86% B 89% |
1-hydroxy-2-butyl-dimethylamine
N,N-dimethyl-propanamide
| Conditions | Yield |
|---|---|
| With potassium hydroxide; air In diethyl ether at 20℃; for 90h; | 84% |
| Conditions | Yield |
|---|---|
| In benzene at 20℃; | 80% |
| In diethyl ether at -30℃; | 74% |
| With benzene | |
| With diethyl ether | |
| In tetrahydrofuran; dichloromethane at 20℃; Cooling with ice; |
| Conditions | Yield |
|---|---|
| In benzene Reflux; Schlenk technique; | 63% |
N,N-dimethyl acetamide
Li{(CH2)(CH2)P(C6H5)2}
methyl iodide
A
N,N-dimethyl-propanamide
B
diphenylethylmethylphosphonium iodide
| Conditions | Yield |
|---|---|
| at -50℃; for 5h; 1 equiv. of MeI; | A 60% B 60% |
N,N-Dimethylacrylamide
A
N,N-dimethyl-propanamide
B
bis(N,N-dimethyl)-γ-ketopimelamide
| Conditions | Yield |
|---|---|
| With carbon monoxide; isopropyl alcohol; dodecacarbonyltetrarhodium(0) at 180℃; for 6h; Pressure (range begins): 75 ; | A 31 % Chromat. B 47% |
N,N-Dimethylacrylamide
carbon monoxide
A
N,N-dimethyl-propanamide
B
bis(N,N-dimethyl)-γ-ketopimelamide
| Conditions | Yield |
|---|---|
| With isopropyl alcohol; dodecacarbonyltetrarhodium(0) at 180℃; for 6h; Pressure (range begins): 75 ; | A 31% B 47 % Chromat. |
N,N,N,N,N,N-hexamethylphosphoric triamide
propionic acid
N,N-dimethyl-propanamide
| Conditions | Yield |
|---|---|
| under 100 Torr; |
| Conditions | Yield |
|---|---|
| With air at 155℃; |
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The N,N-Dimethylpropionamide is an organic compound with the formula C5H11NO. The IUPAC name of this chemical is N,N-dimethylpropanamide. With the CAS registry number 758-96-3, it is also named as Propionamide, N,N-dimethyl-. The product's categories are Amides; Carbonyl Compounds; Organic Building Blocks. Besides, it is a colourless liquid, which should be stored in a closed cool and dry place.
Physical properties about N,N-Dimethylpropionamide are: (1)ACD/LogP: -0.22; (2)ACD/LogD (pH 5.5): -0.21; (3)ACD/LogD (pH 7.4): -0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.2; (7)ACD/KOC (pH 7.4): 18.2; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.415; (12)Molar Refractivity: 28.96 cm3; (13)Molar Volume: 115.4 cm3; (14)Polarizability: 11.48×10-24cm3; (15)Surface Tension: 26.4 dyne/cm; (16)Density: 0.876 g/cm3; (17)Flash Point: 65.8 °C; (18)Enthalpy of Vaporization: 41.23 kJ/mol; (19)Boiling Point: 176 °C at 760 mmHg; (20)Vapour Pressure: 1.12 mmHg at 25°C.
Preparation: this chemical can be prepared by propionyl chloride and dimethylamine. This reaction will need reagent benzene.
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Uses of N,N-Dimethylpropionamide: it can be used to produce trans-N,N-dimethyl-2-methylhex-4-enamide at temperature of 0 °C. It will need reagent diisopropylamine, n-BuLi and solvent tetrahydrofuran, hexane with reaction time of 1 hours The yield is about 63%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful 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 protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(C)C)CC
(2)InChI: InChI=1/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
(3)InChIKey: MBHINSULENHCMF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
(5)Std. InChIKey: MBHINSULENHCMF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 875mg/kg (875mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971. |
| mouse | LD50 | intravenous | 820mg/kg (820mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BLOOD: HEMORRHAGE | American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971. |
