3-Cyclopropyl-3-oxopropanenitrile supplier

Name
3-Cyclopropyl-3-oxopropanenitrile
EINECS
CAS No. 118431-88-2
Article Data31
CAS DataBase
Density 1.156g/cm³
Solubility
Melting Point
Formula C6H7 N O
Boiling Point 187.9°Cat760mmHg
Molecular Weight 109.128
Flash Point 67.4°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclopropyl-3-oxopropanenitrile;3-Cyclopropyl-3-oxopropionitrile; b-Cyclopropyl-b-oxopropionitrile
PSA 40.86000
LogP 0.87918

Synthetic route

: 2868-37-3
methyl cyclopropylcarboxylate

: 75-05-8
acetonitrile

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 70℃; for 16h;	96%
With n-butyllithium In tetrahydrofuran; hexane at -60 - 20℃;	46%
With sodium hydride In 1,4-dioxane
With potassium 2-methylbutan-2-olate In tetrahydrofuran; toluene at 0 - 20℃; for 78h;

: 4606-07-9
ethyl cyclopropylcarboxylate

: 75-05-8
acetonitrile

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With sodium hydride In 1,4-dioxane; mineral oil at 20℃; for 16h;	90%
With potassium tert-butylate; isopropyl alcohol In 2-methyltetrahydrofuran at 20℃; for 2h; Solvent; Time; Inert atmosphere;	48%
With sodium hydride In tetrahydrofuran for 15h; Heating / reflux;

: 3-cyclopropyl-3-ketopropionitrile sodium salt

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With hydrogenchloride In water; dimethyl sulfoxide; toluene at 30℃; pH=2.0; Product distribution / selectivity;	81%
With hydrogenchloride In water at 0℃; pH=7.0; Product distribution / selectivity;	74%
With hydrogenchloride In water; toluene at 30℃; pH=2; Product distribution / selectivity;	66%
With hydrogenchloride; water In toluene pH=4;

: 415898-82-7
5-cyclopropylisoxazole

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With tetrabutylammomium bromide In acetonitrile at 20℃; Electrochemical reaction;	77%

: 66-71-7
1,10-Phenanthroline

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 372-09-8
cyanoacetic acid

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; water; ethyl acetate	54%
With n-butyllithium In tetrahydrofuran; water; ethyl acetate	54%

...Expand

: 75-05-8
acetonitrile

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
Stage #1: acetonitrile With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h; Stage #2: In tetrahydrofuran; hexane at -78℃; for 1h; Stage #3: With hydrogenchloride In tetrahydrofuran; hexane; water pH=3;

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 372-09-8
cyanoacetic acid

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane
With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 372-09-8
cyanoacetic acid

A: 2-cyano-3-cyclopropyl-1-[2-(methylsulphonyl) phenyl] propan-1,3-dione

B: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane

...Expand

: 372-09-8
cyanoacetic acid

: 1759-53-1
cyclopropanecarboxylic acid

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
Stage #1: cyanoacetic acid With isopropylmagnesium chloride In tetrahydrofuran; dichloromethane Stage #2: cyclopropanecarboxylic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran; dichloromethane at 20℃; for 60h; Stage #3: With hydrogenchloride; water In tetrahydrofuran; dichloromethane at 0℃; for 1h;

: 4606-07-9
ethyl cyclopropylcarboxylate

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran; acetonitrile at 20℃; for 1h; Inert atmosphere;

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 75-05-8
acetonitrile

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

Conditions

Conditions	Yield
Stage #1: acetonitrile With n-butyllithium In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: cyclopropanecarboxylic acid chloride In tetrahydrofuran at -50℃; for 1.5h;

: 4-Fluoro-2'-aminobenzophenone methansulfonic acid salt

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 449181-29-7
2-cyclopropyl-4-(4'-fluorophenyl)quinoline-3-carbonitrile

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene	99%
In toluene	98%
In toluene	91%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 60-34-4
methylhydrazine

: 1170238-67-1
5-cyclopropyl-1-methyl-1H-pyrazol-3-amine

Conditions

Conditions	Yield
In ethanol for 12h; Reflux;	97%

: 3800-06-4
2-amino-4'-fluorobenzophenone

: 7440-44-0
pyrographite

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 449181-29-7
2-cyclopropyl-4-(4'-fluorophenyl)quinoline-3-carbonitrile

Conditions

Conditions	Yield
With sodium hydroxide; magnesium sulfate In cyclohexane; water; toluene	95%

...Expand

: 66-99-9
β-naphthaldehyde

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 1207895-46-2
(E)-2-(cyclopropanecarbonyl)-3-(naphthalen-2-yl)acrylonitrile

Conditions

Conditions	Yield
With L-proline In ethanol at 20℃; for 24h; Knoevenagel condensation;	95%

: 3800-06-4
2-amino-4'-fluorobenzophenone

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 449181-29-7
2-cyclopropyl-4-(4'-fluorophenyl)quinoline-3-carbonitrile

Conditions

Conditions	Yield
In di-isopropyl ether	91%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 67-64-1
acetone

: 1207895-47-3
2-(cyclopropanecarbonyl)-3-methylbut-2-enenitrile

Conditions

Conditions	Yield
With L-proline In ethanol at 20℃; for 24h; Knoevenagel condensation;	90%
With acetic acid; 3-amino propanoic acid In toluene for 24h; Reflux;

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 175137-46-9
5-cyclopropyl-2H-pyrazol-3-ylamine

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol	80%
With hydrazine hydrate In ethanol	80%
With hydrazine hydrate In methanol at 75℃; for 15h;	46%

: 2011-48-5
1-(4-methoxybenzyl)hydrazine hydrochloride

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 1160931-80-5
1-(4-methoxybenzyl)-3-cyclopropyl-1H-pyrazol-5-amine

Conditions

Conditions	Yield
In ethanol Inert atmosphere; Reflux;	79%
With sodium ethanolate In ethanol for 2h; Reflux;

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: cis-(±)-4-[(methoxycarbonyl)oxy]cyclohex-2-en-1-yl methyl carbonate

: (3aS,7aS)-2-cyclopropyl-3a,4,5,7a-tetrahydrobenzofuran-3-carbonitrile

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); C48H50N2O2P2Ru In 1,4-dioxane at 20℃; for 24h; Schlenk technique; Inert atmosphere; stereoselective reaction;	79%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 4-(trifluoromethoxy)phenylhydrazine hydrochloride

: 3-cyclopropyl-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-amine

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 20h; Reflux;	77%

: 4-hydrazinyl-1-methylpiperidine hydrochloride

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine

Conditions

Conditions	Yield
In ethanol Reflux;	74%

: C14H14O4

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: C18H17NO3

Conditions

Conditions	Yield
With C35H44N4O3; sodium carbonate In ethyl acetate at 0℃; for 32h; Schlenk technique; enantioselective reaction;	73%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 122-51-0
orthoformic acid triethyl ester

: 2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enenitrile

Conditions

Conditions	Yield
With acetic anhydride at 150℃; for 2h;	72%

: C60H52Cl2OsP3(1+)*BF4(1-)

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: C65H59Cl2NOOsP3(1+)*BF4(1-)

Conditions

Conditions	Yield
In chloroform for 12h; Inert atmosphere; Schlenk technique; Reflux;	71%

: 2863-98-1
4-hydrazinobenzonitrile hydrochloride

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 4-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)benzonitrile

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 20h; Reflux;	71%

: C16H13N5O

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 3-cyclopropyl-3-((2-oxo-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2-dihydroquinolin-6-yl)(methyl)amino)propionitrile

Conditions

Conditions	Yield
Stage #1: C16H13N5O; 3-cyclopropyl-3-oxo-propionitrile In ethanol at 30℃; for 1h; Stage #2: With sodium cyanoborohydride In ethanol for 10h;	70.1%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 21080-91-1
3-cyclopropylisoxazol-5-ylamine

Conditions

Conditions	Yield
Stage #1: 3-cyclopropyl-3-oxo-propionitrile With hydroxyammonium sulfate; sodium hydroxide In water at 20 - 100℃; for 1.5h; pH=8 - 11; Inert atmosphere; Stage #2: With hydrogenchloride In water at 100℃; for 0.25h; Inert atmosphere;	70%

: C60H52Cl2OsP3(1+)*BF4(1-)

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: C65H59Cl2NOOsP3(1+)*BF4(1-)

Conditions

Conditions	Yield
In chloroform at 20℃; for 1h; Inert atmosphere; Schlenk technique;	70%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 21080-85-3
5-cyclopropylisoxazol-3-amine

Conditions

Conditions	Yield
Stage #1: 3-cyclopropyl-3-oxo-propionitrile With hydroxyammonium sulfate; sodium hydroxide In water at 45℃; for 72h; pH=7 - 8; Inert atmosphere; Stage #2: With hydrogenchloride In water at 50℃; for 2.5h; Inert atmosphere;	65%

: 6629-60-3
ethylhydrazine oxalic acid salt

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 3-cyclopropyl-1-ethyl-1H-pyrazol-5-amine

Conditions

Conditions	Yield
In ethanol for 12h; Reflux;	65%
With sodium acetate In ethanol Reflux;	1.32 g

: 1114829-09-2
2-methyl-6-(1H-1,2,4-triazol-1-yl)nicotinic acid chloride

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 1113583-29-1
3-cyclopropyl-2-{[2-methyl-6-(1H-1,2,4-triazol-1-yl)-pyridin-3-yl]carbonyl}-3-oxopropanenitrile

Conditions

Conditions	Yield
Stage #1: 3-cyclopropyl-3-oxo-propionitrile With sodium hydride In tetrahydrofuran at 0℃; Stage #2: 2-methyl-6-(1H-1,2,4-triazol-1-yl)nicotinic acid chloride In tetrahydrofuran at 20℃; for 3h;	64%

: C60H52Cl2OsP3(1+)*BF4(1-)

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: C65H59Cl2NOOsP3(1+)*BF4(1-)

Conditions

Conditions	Yield
With hydrogenchloride In chloroform; water for 4h; Inert atmosphere; Schlenk technique; Reflux;	63%

: 936249-35-3
(2-methoxyethyl)hydrazine hydrochloride

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 3-cyclopropyl-1-(2-methoxyethyl)-1H-pyrazol-5-amine

Conditions

Conditions	Yield
In ethanol Reflux;	62%

: 118431-88-2
3-cyclopropyl-3-oxo-propionitrile

: 175137-46-9
3-amino-5-cyclopropyl-1H-pyrazole

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol at 0 - 70℃; for 3h;	57%
With hydrazine
With hydrazine In ethanol at 60℃; for 24h;

3-Cyclopropyl-3-oxopropanenitrile Chemical Properties

Molecular Structure of 3-Cyclopropyl-3-oxopropanenitrile (CAS No.118431-88-2):

Molecular Formula: C₆H₇NO
Molecular Weight: 109.1259
CAS No: 118431-88-2
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 40.86 Å²
Index of Refraction: 1.496
Molar Refractivity: 27.587 cm³
Molar Volume: 94.379 cm³
Surface Tension: 51.793 dyne/cm
Density: 1.156 g/cm³
Flash Point: 67.448 °C
Enthalpy of Vaporization: 42.413 kJ/mol
Boiling Point: 187.914 °C at 760 mmHg
Vapour Pressure: 0.615 mmHg at 25°C
InChI: InChI=1/C₆H₇NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2
InChIKey: SDARMQNRQJBGQE-UHFFFAOYAL
Std. InChI: InChI=1S/C₆H₇NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2
Std. InChIKey: SDARMQNRQJBGQE-UHFFFAOYSA-N

3-Cyclopropyl-3-oxopropanenitrile Specification

3-Cyclopropyl-3-oxopropanenitrile (CAS No.118431-88-2), its synonyms are 3-Cyclopropyl-3-oxopropanenitrile ; Beta-Oxocyclopropanepropanenitrile ; Cyclopropanepropanenitrile, beta-oxo- .

Product Name

3-Cyclopropyl-3-oxopropanenitrile

Synthetic route

3-Cyclopropyl-3-oxopropanenitrile Chemical Properties

3-Cyclopropyl-3-oxopropanenitrile Specification

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