1H-Pyrazole-4-carbonitrile supplier

Name
4-CYANOPYRAZOLE
EINECS
CAS No. 31108-57-3
Article Data5
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₄H₃N₃
Boiling Point 317.4 °C at 760 mmHg
Molecular Weight 93.0879
Flash Point 114 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Cyanopyrazole;Pyrazole-4-carbonitrile(7CI,8CI);
PSA 52.47000
LogP 0.28138

Synthetic route

: 2075-45-8
4-bromo-1H-pyrazole

: potassiumhexacyanoferrate(II) trihydrate

: 31108-57-3
1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With C42H58NO3PPdS(2-); potassium acetate; tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere; Sealed tube;	90%

: 149139-41-3
α-cyano-β-dimethylaminoacrolein

: 31108-57-3
1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With hydrogenchloride; hydrazine In ethanol for 1h; Heating;	55%

: 2075-45-8
4-bromo-1H-pyrazole

: 14904-70-2
[11C]hydrogen cyanide

: 31108-57-3
1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
Stage #1: 4-bromo-1H-pyrazole With XPhos In toluene at 20℃; for 0.5h; Stage #2: [11C]hydrogen cyanide In tetrahydrofuran at 100℃; for 0.0166667h;

: C24H41BrO

: 31108-57-3
1H-pyrazole-4-carbonitrile

: C28H43N3O

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; Inert atmosphere;	97.5%

: (2R,5S)-tert-butyl 5-(4-chlorobenzyl)-2-(((methylsulfonyl)oxy)methyl)morpholine-4-carboxylate

: 31108-57-3
1H-pyrazole-4-carbonitrile

: (2R,5S)-tert-butyl 5-(4-chlorobenzyl)-2-((4-cyano-1H-pyrazol-1-yl)methyl)morpholine-4-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 100℃; Sealed tube;	97%

: 110-87-2
3,4-dihydro-2H-pyran

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 1448317-12-1
1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 3 - 20℃;	96%

: 75-22-9
trimethylamine-borane

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 18601-58-6
{1-(4-cyano)pyrazolyl}borane

Conditions

Conditions	Yield
	95%
	95%

: 97-94-9
triethyl borane

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 14695-72-8
bis-[μ-(4-cyano-pyrazolato-N1:N2)]-tetraethyl-bis-boron

Conditions

Conditions	Yield
	93%
	93%

: C23H38O2

: 31108-57-3
1H-pyrazole-4-carbonitrile

A: 1-((R)-2-hydroxy-2-((3R,5R,8R,9R,10S,13S,14S,15R,17S)-3-hydroxy-3,13,15-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)-1H-pyrazole-4-carbonitrile

B: 1-((S)-2-hydroxy-2-((3R,5R,8R,9R,10S,13S,14S,15R,17S)-3-hydroxy-3,13,15-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 25 - 120℃; for 16h;	A 43% B 93%

...Expand

: methyl 3-(((methylsulfonyl)oxy)methyl)bicyclo[1.1.1]pentane-1-carboxylate

: 31108-57-3
1H-pyrazole-4-carbonitrile

: methyl 3-((4-cyano-1H-pyrazol-1-yl)methyl)bicyclo[1.1.1]pentane-1-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃;	93%

: 75-03-6
ethyl iodide

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 1-ethyl-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 16h;	92%

: C25H42O3

: 31108-57-3
1H-pyrazole-4-carbonitrile

A: 1-((R)-2-((3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3-(methoxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypropyl)-1H-pyrazole-4-carbonitrile

B: 1-((S)-2-((3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3-(methoxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypropyl)-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 120℃; for 48h;	A 53.4% B 92%

...Expand

: C23H39BrO

: 31108-57-3
1H-pyrazole-4-carbonitrile

: C27H41N3O

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 15 - 80℃; for 2h; Inert atmosphere;	91.5%

: 386715-33-9
3-chloromethyl-6-(trifluoromethyl)pyridine

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 1-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2h;	90.7%

: 2746-25-0
p-Methoxybenzyl bromide

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 1448317-15-4
1-(4-methoxybenzyl)-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 0 - 20℃;	87%

: ethyl 1-(6-(2-(4-(3-bromopropoxy)-2-methylphenethyl)-5-fluorophenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

: 31108-57-3
1H-pyrazole-4-carbonitrile

: ethyl 1-(6-(2-(4-(3-(4-cyano-1H-pyrazol-1-yl)propoxy)-2-methylphenethyl)-5-fluorophenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 80℃; for 16h;	87%

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 71-43-2
benzene

: 709-04-6
1-phenyl-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With 10-phenyl-10H-phenothiazine; 1,1,1,3',3',3'-hexafluoro-propanol; oxygen; lithium perchlorate In 2,2,2-trifluoroethanol under 760.051 Torr; Irradiation; Cooling;	87%

: C21H34O2

: 31108-57-3
1H-pyrazole-4-carbonitrile

: C25H37N3O2

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 120℃; for 16h; Inert atmosphere;	84%

: C24H41BrO2Si

: 31108-57-3
1H-pyrazole-4-carbonitrile

: C28H43N3O2Si

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; Inert atmosphere;	82%

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 4-cyano-N-nitropyrazole

Conditions

Conditions	Yield
With Iron(III) nitrate nonahydrate; tetrabutylammonium tetrafluoroborate In acetonitrile at 70℃; Inert atmosphere; Electrolysis; Green chemistry;	80%

: C30H44O5S

: 31108-57-3
1H-pyrazole-4-carbonitrile

: 1-((3-((3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxetan-3-yl)methyl)-1H-pyrazole-4-carbonitrile

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; for 16h;	79%

1H-Pyrazole-4-carbonitrile Chemical Properties

IUPAC Name: 1H-pyrazole-4-carbonitrile
Systematic of 1H-Pyrazole-4-carbonitrile (CAS NO.31108-57-3): Buttpark 87\09-37 ; Akos bbs-00005324 ;4-Cyanopyrazole ; 4-Pyrazolecarbonitrile ; 4-Cyanopyrazole 97% ; 4-Cyano-1H-pyrazole
CAS NO: 31108-57-3
Molecular Formula of 1H-Pyrazole-4-carbonitrile (CAS NO.31108-57-3): C₄H₃N₃
Molecular Weight: 93.0867
Molecular Structure:

H bond acceptors: 3
H bond donors: 1
Polar Surface Area: 41.61 Å²
Index of Refraction: 1.551
Molar Refractivity: 23.04 cm³
Molar Volume: 72.1 cm³
Surface Tension: 71.5 dyne/cm
Density of 1H-Pyrazole-4-carbonitrile (CAS NO.31108-57-3): 1.28 g/cm³
Flash Point: 114 °C
Enthalpy of Vaporization: 55.88 kJ/mol
Boiling Point: 317.4 °C at 760 mmHg
Vapour Pressure: 0.000385 mmHg at 25 °C

Product Name

4-CYANOPYRAZOLE

Synthetic route

1H-Pyrazole-4-carbonitrile Chemical Properties

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