Product Name

  • Name

    PROPYNOIC ACID AMIDE

  • EINECS
  • CAS No. 7341-96-0
  • Article Data40
  • CAS DataBase
  • Density 1.102 g/cm3
  • Solubility
  • 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
  • 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;
  • PSA 43.09000
  • LogP -0.19480

Synthetic route

propynoic acid methyl ester
922-67-8

propynoic acid methyl ester

2-propynamide
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%
propynoic acid ethyl ester
623-47-2

propynoic acid ethyl ester

2-propynamide
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

3-(trimethylsilyl)prop-2-ynamide

2-propynamide
7341-96-0

2-propynamide

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

propargyl alcohol

2-propynamide
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%
propiolic acid anhydride
4672-74-6

propiolic acid anhydride

2-propynamide
7341-96-0

2-propynamide

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

propiolonitrile

2-propynamide
7341-96-0

2-propynamide

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

2-propynamide

(Z)-3-Chloropropenamide
78708-26-6

(Z)-3-Chloropropenamide

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

2-propynamide

(Z)-3-Iodopropenamide
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%
2-propynamide
7341-96-0

2-propynamide

pivalaldehyde
630-19-3

pivalaldehyde

C8H14INO2

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%
2-propynamide
7341-96-0

2-propynamide

1-selenonaphthol
16645-11-7

1-selenonaphthol

β-(1-naphthylseleno)acrylamide
94848-98-3

β-(1-naphthylseleno)acrylamide

Conditions
ConditionsYield
In ethanol at 40 - 50℃; for 0.5h;95.3%
2-propynamide
7341-96-0

2-propynamide

indole-2,3-dione
91-56-5

indole-2,3-dione

L-proline
147-85-3

L-proline

2-oxo-5',6',7',7a'-tetrahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide
1453811-29-4

2-oxo-5',6',7',7a'-tetrahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide

Conditions
ConditionsYield
With copper(l) iodide In acetonitrile at 80℃; for 2h; Reagent/catalyst; Solvent; Inert atmosphere;92%
...Expand
piperidine
110-89-4

piperidine

2-propynamide
7341-96-0

2-propynamide

(E)-3-(piperidin-1-yl)acrylamide
64164-01-8

(E)-3-(piperidin-1-yl)acrylamide

Conditions
ConditionsYield
In diethyl ether for 1h;91%
2-propynamide
7341-96-0

2-propynamide

5,7-dinitro-1H-indole-2,3-dione
5453-79-2

5,7-dinitro-1H-indole-2,3-dione

L-proline
147-85-3

L-proline

5,7-dinitro-2-oxo-5',6',7',7a'-tetrahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide
1453811-35-2

5,7-dinitro-2-oxo-5',6',7',7a'-tetrahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide

Conditions
ConditionsYield
With copper(l) iodide In acetonitrile at 80℃; for 2h; Inert atmosphere;90%
...Expand
2-propynamide
7341-96-0

2-propynamide

2-(benzylideneamino)phenol
1624-53-9, 3230-45-3, 137838-23-4

2-(benzylideneamino)phenol

methyl 2-diazo-2-(3-methoxyphenyl)acetate
384365-49-5

methyl 2-diazo-2-(3-methoxyphenyl)acetate

C26H24N2O5

C26H24N2O5

Conditions
ConditionsYield
Stage #1: 2-(benzylideneamino)phenol In dichloromethane at 20℃; for 0.166667h; Molecular sieve;
Stage #2: 2-propynamide; methyl 2-diazo-2-(3-methoxyphenyl)acetate With dirhodium tetraacetate In dichloromethane at 20℃; for 1h; Molecular sieve;		90%
...Expand
2-propynamide
7341-96-0

2-propynamide

3',6'-bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
150322-05-7

3',6'-bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid

C28H25N3O4

C28H25N3O4

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 25℃;90%
2-propynamide
7341-96-0

2-propynamide

3-iodopropiolamide

3-iodopropiolamide

Conditions
ConditionsYield
With N-iodo-succinimide; acetic acid In acetonitrile at 80℃; for 1.5h; Molecular sieve;89%
With N-iodo-succinimide; acetic acid In acetonitrile at 80℃; for 1.5h; Molecular sieve;89%
With iodine; sodium hydroxide In water
2-propynamide
7341-96-0

2-propynamide

2-((naphthalen-2-ylmethylene)amino)phenol
78685-68-4

2-((naphthalen-2-ylmethylene)amino)phenol

Methyl phenyldiazoacetate
22979-35-7

Methyl phenyldiazoacetate

methyl 3-((2-hydroxyphenyl)amino)-3-(naphthalen-2-yl)-2-phenyl-2-propiolamidopropanoate

methyl 3-((2-hydroxyphenyl)amino)-3-(naphthalen-2-yl)-2-phenyl-2-propiolamidopropanoate

Conditions
ConditionsYield
With rhodium(II) acetate dimer In dichloromethane at 20 - 25℃; for 6h; Molecular sieve; Inert atmosphere; diastereoselective reaction;89%
...Expand
2-propynamide
7341-96-0

2-propynamide

2-(4-bromo-benzylidenamino)-phenol
117649-27-1, 3230-46-4

2-(4-bromo-benzylidenamino)-phenol

Methyl phenyldiazoacetate
22979-35-7

Methyl phenyldiazoacetate

A

methyl 3-(4-bromophenyl)-3-((2-hydroxyphenyl)amino)-2-phenyl-2-propiolamidopropanoate

methyl 3-(4-bromophenyl)-3-((2-hydroxyphenyl)amino)-2-phenyl-2-propiolamidopropanoate

B

methyl 3-(4-bromophenyl)-3-((2-hydroxyphenyl)amino)-2-phenyl-2-propiolamidopropanoate

methyl 3-(4-bromophenyl)-3-((2-hydroxyphenyl)amino)-2-phenyl-2-propiolamidopropanoate

Conditions
ConditionsYield
Stage #1: 2-(4-bromo-benzylidenamino)-phenol In dichloromethane at 20℃; for 0.166667h; Molecular sieve;
Stage #2: 2-propynamide; Methyl phenyldiazoacetate With dirhodium tetraacetate In dichloromethane at 20℃; for 1h; Molecular sieve;		A 89%
B n/a
...Expand
2-propynamide
7341-96-0

2-propynamide

2-((naphthalen-1-ylmethylene)amino)phenol
5932-25-2

2-((naphthalen-1-ylmethylene)amino)phenol

Methyl phenyldiazoacetate
22979-35-7

Methyl phenyldiazoacetate

C29H24N2O4

C29H24N2O4

C29H24N2O4

C29H24N2O4

Conditions
ConditionsYield
Stage #1: 2-((naphthalen-1-ylmethylene)amino)phenol In dichloromethane at 20℃; for 0.166667h; Molecular sieve;
Stage #2: 2-propynamide; Methyl phenyldiazoacetate With dirhodium tetraacetate In dichloromethane at 20℃; for 1h; Molecular sieve;		A n/a
B 89%
...Expand
2-propynamide
7341-96-0

2-propynamide

(+)-pinanediol (1R)-2-azido-1-[(2-thienylacetyl)amino]ethaneboronate

(+)-pinanediol (1R)-2-azido-1-[(2-thienylacetyl)amino]ethaneboronate

(+)-pinanediol (1R)-2-(4-carboxamido[1,2,3]triazol-1-yl)-1-(2-thienylacetylamino)ethaneboronate

(+)-pinanediol (1R)-2-(4-carboxamido[1,2,3]triazol-1-yl)-1-(2-thienylacetylamino)ethaneboronate

Conditions
ConditionsYield
With copper(II) sulfate; sodium L-ascorbate In water; tert-butyl alcohol at 60℃; for 0.5h; Inert atmosphere; Sealed tube;89%
2-propynamide
7341-96-0

2-propynamide

1-(azidomethyl)-3,5-dimethylbenzene
222716-36-1

1-(azidomethyl)-3,5-dimethylbenzene

1-(3,5-dimethylbenzyl)-1H-1,2,3-triazole-4-carboxamide

1-(3,5-dimethylbenzyl)-1H-1,2,3-triazole-4-carboxamide

Conditions
ConditionsYield
With sodium chloride In water for 5h; Irradiation; regioselective reaction;89%
morpholine
110-91-8

morpholine

2-propynamide
7341-96-0

2-propynamide

trans-β-(morpholino)acrylic acid amide
118091-04-6

trans-β-(morpholino)acrylic acid amide

Conditions
ConditionsYield
In diethyl ether at 20℃; for 18h;88%
In dichloromethane for 1h;83%
2-propynamide
7341-96-0

2-propynamide

methyl 2-oxocyclopentane-1-carboxylate
10472-24-9

methyl 2-oxocyclopentane-1-carboxylate

methyl 1-(3-amino-3-oxoprop-1-enyl)-2-oxocyclopentanecarboxylate
1199941-88-2

methyl 1-(3-amino-3-oxoprop-1-enyl)-2-oxocyclopentanecarboxylate

Conditions
ConditionsYield
With sodium carbonate In water at 0 - 20℃; for 2h; Michael addition;88%
2-propynamide
7341-96-0

2-propynamide

4',4''-O,O-dimethylcurcumin
160096-59-3

4',4''-O,O-dimethylcurcumin

(2E,6E)-7-(3,4-dimethoxyphenyl)-4-((E)-3-(3,4-dimethoxyphenyl)acryloyl)-5-oxohepta-2,6-dienamide
1118765-37-9

(2E,6E)-7-(3,4-dimethoxyphenyl)-4-((E)-3-(3,4-dimethoxyphenyl)acryloyl)-5-oxohepta-2,6-dienamide

Conditions
ConditionsYield
Stage #1: 4',4''-O,O-dimethylcurcumin With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.5h;
Stage #2: 2-propynamide In tetrahydrofuran; mineral oil at 20℃; for 24.1667h;		88%
2-propynamide
7341-96-0

2-propynamide

N-4-chlorobenzylidene-2-hydroxyaniline
117909-29-2, 5348-11-8

N-4-chlorobenzylidene-2-hydroxyaniline

methyl 3-chlorophenyldiazoacetate
264882-01-1

methyl 3-chlorophenyldiazoacetate

methyl 2-(3-chlorophenyl)-3-(4-chlorophenyl)-3-[(2-hydroxyphenyl)amino]-2-(prop-2-ynamido)propanoate

methyl 2-(3-chlorophenyl)-3-(4-chlorophenyl)-3-[(2-hydroxyphenyl)amino]-2-(prop-2-ynamido)propanoate

Conditions
ConditionsYield
With rhodium(II) acetate dimer In dichloromethane at 20 - 25℃; for 6h; Molecular sieve; Inert atmosphere; diastereoselective reaction;88%
...Expand

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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