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| CAS No.: | 142-26-7 |
|---|---|
| Name: | N-(2-Hydroxyethyl)acetamide |
| Article Data: | 73 |
| Molecular Structure: | |
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|
|
| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | 2-Acetamidoethanol;2-Acetylaminoethanol;2-N-Acetylaminoethanol;Acetylcolamine;N-(b-Hydroxyethyl)acetamide;N-Acetyl-2-aminoethanol;N-Acetylethanolamine;N-Ethanolacetamide;b-Hydroxyethylacetamide; |
| EINECS: | 205-530-8 |
| Density: | 1.052 g/cm3 |
| Melting Point: | 15.8 °C |
| Boiling Point: | 291.471 °C at 760 mmHg |
| Flash Point: | 151.037 °C |
| Solubility: | Soluble in water, 1e+006 mg/L @ 25°C (est), soluble in alcohol and ether. |
| Appearance: | clear viscous white to yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-41-37/38 |
| Safety: | 26-36 |
| PSA: | 49.33000 |
| LogP: | -0.49430 |
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| Conditions | Yield |
|---|---|
| With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In acetonitrile at 20℃; for 15h; Schlenk technique; Inert atmosphere; | 100% |
| With N,N'-Mes2imidazol-2-ylidene In tetrahydrofuran at 23℃; for 24h; | 34% |
| Conditions | Yield |
|---|---|
| With Cp2Ti(OSO2C8F17)2 at 20℃; for 0.0166667h; Neat (no solvent); | 99% |
| yttria-stabilized zirconia In acetonitrile at 20℃; for 4h; | 98% |
| With Methylenediphosphonic acid at 20℃; for 1h; neat (no solvent); chemoselective reaction; | 96% |
| Conditions | Yield |
|---|---|
| With N,N'-Mes2imidazol-2-ylidene In tetrahydrofuran at 23℃; for 24h; | 99% |
| With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In acetonitrile at 20℃; for 15h; Schlenk technique; Inert atmosphere; | 97% |
| With Merrifield resin-supported N3=P(MeNCH2CH2)3N In tetrahydrofuran at 23 - 25℃; Inert atmosphere; | 66% |
| for 6h; Acylation; Heating; |
| Conditions | Yield |
|---|---|
| at 25℃; for 0.0833333h; neat (no solvent); chemoselective reaction; | 99% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide | 98% |
| In N,N-dimethyl-formamide |
| Conditions | Yield |
|---|---|
| tetraphosphorus decasulfide; triphenyl antimony oxide at 50℃; for 1h; | 95% |
| With zinc(II) oxide for 3h; Reflux; chemoselective reaction; | 95% |
| at 180℃; | 93% |
| at 160 - 200℃; |
| Conditions | Yield |
|---|---|
| With sodium carbonate In methanol at 60℃; for 24h; Product distribution / selectivity; Reflux; | 95% |
| With indium; iodine for 15h; Heating; | 82% |
| Conditions | Yield |
|---|---|
| With N,N'-Mes2imidazol-2-ylidene In tetrahydrofuran at 23℃; for 24h; | 95% |
| Conditions | Yield |
|---|---|
| In dichloromethane for 0.0833333h; Ambient temperature; | 85% |
| Conditions | Yield |
|---|---|
| In dichloromethane at 25℃; for 0.0166667h; | 83% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The N-(2-Hydroxyethyl)acetamide, with the CAS registry number 142-26-7, is also known as N-Acetylethanolamine. It belongs to the classification code of Skin / Eye Irritant. Its EINECS registry number is 205-530-8. This chemical's molecular formula is C4H9NO2 and molecular weight is 103.12. What's more, its IUPAC name is the same with its product name. This chemical can be prepared by ethanolamine with methyl acetate. It is mainly used in dye and pharmaceutical synthesis.
Physical properties about N-(2-Hydroxyethyl)acetamide are: (1)ACD/LogP: -1.336; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.47; (8)ACD/KOC (pH 7.4): 4.47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 25.74 cm3; (15)Molar Volume: 98.004 cm3; (16)Polarizability: 10.204×10-24cm3; (17)Surface Tension: 36.596 dyne/cm; (18)Density: 1.052 g/cm3; (19)Flash Point: 151.037 °C; (20)Enthalpy of Vaporization: 61.601 kJ/mol; (21)Boiling Point: 291.471 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of N-(2-Hydroxyethyl)acetamide: this chemical can be prepared by acetic acid anhydride with 2-amino-ethanol. This reaction needs reagent NaOH and solvents propan-2-ol, H2O at ambient temperature. The reaction time is 30 min. The yield is 74 %.
acetamide.jpg)
Uses of N-(2-Hydroxyethyl)acetamide: it is used to produce other chemicals. For example, it can react with carbon monoxide to get 3-acetyl-oxazolidin-2-one. This reaction needs reagents PdCl2, NaOAc and solvents 1,2-dimethoxy-ethane at ambient temperature. The reaction pressure is 2280.0002 Pa. The yield is 91 %.
acetamide.jpg)
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it has serious damage to eyes. It is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCO)C
(2) InChI: InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
(3) InChIKey: PVCJKHHOXFKFRP-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | Union Carbide Data Sheet. Vol. 4/21/1967, | |
| rat | LD50 | oral | 26950mg/kg (26950mg/kg) | Journal of the American College of Toxicology. Vol. 12(3), Pg. 225, 1993. |