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| CAS No.: | 7341-96-0 |
|---|---|
| Name: | PROPYNOIC ACID AMIDE |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C3H3NO |
| Molecular Weight: | 69.0629 |
| Synonyms: | Propiolamide(6CI,7CI,8CI);NSC 520954;Propiolic acid amide; |
| Density: | 1.102 g/cm3 |
| Melting Point: | 61-62°C |
| Boiling Point: | 134.6 °C at 760 mmHg |
| Flash Point: | 35.2 °C |
| Appearance: | Waxy Yellow Solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38-36 |
| Safety: | 26 |
| PSA: | 43.09000 |
| LogP: | -0.19480 |
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| Conditions | Yield |
|---|---|
| With ammonia In water for 0.166667h; Cooling with isopropanol-dry ice; | 100% |
| With ammonia In water | 99% |
| With ammonia In water at -30 - 30℃; for 0.333333h; | 95.4% |
| Conditions | Yield |
|---|---|
| With ammonia at -78 - 20℃; for 5h; | 100% |
| With ammonia at -55℃; for 9h; | 83% |
| With ammonium hydroxide at -10℃; for 1h; Inert atmosphere; | 74% |
- 7341-96-0
2-propynamide
| Conditions | Yield |
|---|---|
| With KF-Al2O3 (5 mol percent) In methanol at 25℃; for 0.333333h; | 82% |
| Conditions | Yield |
|---|---|
| With iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; hydroxylamine hydrochloride; iodine; potassium carbonate In 1,2-dichloro-ethane at 90℃; for 19h; | 75% |
| Conditions | Yield |
|---|---|
| With diethyl ether; ammonia |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 35 - 40℃; |
- 7341-96-0
2-propynamide
- 78708-26-6
(Z)-3-Chloropropenamide
| Conditions | Yield |
|---|---|
| With acetic acid; lithium chloride at 90℃; for 22h; | 98% |
- 7341-96-0
2-propynamide
- 137627-61-3
(Z)-3-Iodopropenamide
| Conditions | Yield |
|---|---|
| With acetic acid; lithium iodide at 90℃; for 22h; | 98% |
| With lithium iodide In acetic acid at 90℃; for 8h; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: pivalaldehyde With magnesium iodide In dichloromethane at 0 - 20℃; Morita-Baylis-Hillman reaction; Inert atmosphere; Stage #2: 2-propynamide In dichloromethane at 20℃; for 30h; Morita-Baylis-Hillman reaction; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| In ethanol at 40 - 50℃; for 0.5h; | 95.3% |
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Specification
The Propiolamide with the cas number 7341-96-0 is also called Propiolic acid amide. Both the systematic name and IUPAC name are prop-2-ynamide. Its molecular formula is C3H3NO. The product's category is Miscellaneous Reagents. This chemical is waxy yellow solid.
The properties of the chemical are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.67; (8)ACD/KOC (pH 7.4): 21.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 17.34 cm3; (15)Molar Volume: 62.6 cm3; (16)Polarizability: 6.87×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Enthalpy of Vaporization: 37.21 kJ/mol; (19)Vapour Pressure: 8.03 mmHg at 25°C.
Preparation: This chemical can be prepared by propynoic acid methyl ester. This reaction needs reagent NH4OH at temperature of -30°C. The reaction time is 20 min. The yield is 94%.
Uses: This chemical can prepare propynenitrile. This reaction needs reagent P2O5 at temperature of 120 °C. The yield is 61%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C#C)N
(2)InChI: InChI=1/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)
(3)InChIKey: HCJTYESURSHXNB-UHFFFAOYAH