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Propiolamide

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Name

Propiolamide

EINECS N/A
CAS No. 7341-96-0 Density 1.102 g/cm3
PSA 43.09000 LogP -0.19480
Solubility N/A Melting Point 61-62°C
Formula C3H3NO Boiling Point 134.6 °C at 760 mmHg
Molecular Weight 69.0629 Flash Point 35.2 °C
Transport Information N/A Appearance Waxy Yellow Solid
Safety 26 Risk Codes 22-36/37/38-36
Molecular Structure Molecular Structure of 7341-96-0 (PROPYNOIC ACID AMIDE) Hazard Symbols Xn
Synonyms

Propiolamide(6CI,7CI,8CI);NSC 520954;Propiolic acid amide;

Article Data 40

Propiolamide Synthetic route

922-67-8

propynoic acid methyl ester

7341-96-0

2-propynamide

Conditions
ConditionsYield
With ammonia In water for 0.166667h; Cooling with isopropanol-dry ice;100%
With ammonia In water99%
With ammonia In water at -30 - 30℃; for 0.333333h;95.4%
623-47-2

propynoic acid ethyl ester

7341-96-0

2-propynamide

Conditions
ConditionsYield
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%

3-(trimethylsilyl)prop-2-ynamide

7341-96-0

2-propynamide

Conditions
ConditionsYield
With KF-Al2O3 (5 mol percent) In methanol at 25℃; for 0.333333h;82%
107-19-7

propargyl alcohol

7341-96-0

2-propynamide

Conditions
ConditionsYield
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%
4672-74-6

propiolic acid anhydride

7341-96-0

2-propynamide

Conditions
ConditionsYield
With diethyl ether; ammonia
1070-71-9

propiolonitrile

7341-96-0

2-propynamide

Conditions
ConditionsYield
With sulfuric acid at 35 - 40℃;
7341-96-0

2-propynamide

78708-26-6

(Z)-3-Chloropropenamide

Conditions
ConditionsYield
With acetic acid; lithium chloride at 90℃; for 22h;98%
7341-96-0

2-propynamide

137627-61-3

(Z)-3-Iodopropenamide

Conditions
ConditionsYield
With acetic acid; lithium iodide at 90℃; for 22h;98%
With lithium iodide In acetic acid at 90℃; for 8h;85%
7341-96-0

2-propynamide

630-19-3

pivalaldehyde

C8H14INO2

Conditions
ConditionsYield
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%
7341-96-0

2-propynamide

16645-11-7

1-selenonaphthol

94848-98-3

β-(1-naphthylseleno)acrylamide

Conditions
ConditionsYield
In ethanol at 40 - 50℃; for 0.5h;95.3%

Propiolamide 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

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