4-Piperazin-1-ylbenzaldehyde supplier

Name
4-PIPERAZIN-1-YL-BENZALDEHYDE
EINECS 604-604-1
CAS No. 27913-98-0
Article Data8
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂O
Boiling Point 373.6 °C at 760 mmHg
Molecular Weight 190.245
Flash Point 179.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Piperazin-1-yl-benzaldehyde;4-(Piperazin-1-yl)benzaldehyde;Benzaldehyde, 4-(1-piperazinyl)-;
PSA 32.34000
LogP 1.30250

Synthetic route

: 110-85-0
piperazine

: 459-57-4
4-fluorobenzaldehyde

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

Conditions

Conditions	Yield
In 2-methoxy-ethanol; water for 3h; Heating;	68%
In 2-methoxy-ethanol; water for 3h; Reflux;	65.9%
In 2-methoxy-ethanol for 3h; Reflux;	65%

: 197638-83-8
4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 1.5h;

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 9-amino-3,4-dihydro-1H-pyrido[4,3-e][1,4]diazepin-5(2H)-one

: 1-(4-(piperazin-1-yl)phenyl)-8,9-dihydro-2,4,7,9a-tetraazabenzo[cd]azulen-6(7H)-one

Conditions

Conditions	Yield
With palladium 10% on activated carbon In methanol at 120℃; for 24h; Sealed tube;	92.6%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 24424-99-5
di-tert-butyl dicarbonate

: 197638-83-8
4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane at 20℃; for 16h; Inert atmosphere;	92%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 23051-44-7
3-dicyanomethylidene-1,5,5-trimethylcyclohexene

: (E)-2-(5,5-dimethyl-3-(4-(piperazin-1-yl)styryl)cyclohex-2-en-1-ylidene)malononitrile

Conditions

Conditions	Yield
In ethanol Concentration; Reflux;	87%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 98-59-9
p-toluenesulfonyl chloride

: C18H20N2O3S

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20 - 30℃; Inert atmosphere;	83.1%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 4-(3-Hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid

: 4-(4-(4-(3-hydroxy-4-oxo-4H-chromen-2-yl)benzoyl)piperazin-1-yl)benzaldehyde

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 8h;	82%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.8h;	128 mg

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 182344-68-9
6-bromo-2-(2-morpholinoethyl)-1H-benzo[de]isoquinoline1,3 (2 H)-dione

: C29H30N4O4

Conditions

Conditions	Yield
In 2-methoxy-ethanol at 80℃; for 8h;	72%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 53342-53-3
4,6-dichloro-2-methylquinoline

: C21H19Cl2N3

Conditions

Conditions	Yield
With toluene-4-sulfonamide In toluene at 120℃; for 12h;	72%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 4295-06-1
4-chloro-2-methylquinoline

: C21H20ClN3

Conditions

Conditions	Yield
With toluene-4-sulfonamide In toluene at 120℃; for 12h;	71%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 501-53-1
benzyl chloroformate

: 104055-50-7
benzyl 4-(4-formylphenyl)piperazine-1-carboxylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere;	70%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 263902-75-6
4-(dicyanomethylene)-2-isopropyl-6-methyl-4H-pyran

: 950583-83-2
2-{2-[4-(piperazin-1-yl)styryl]-6-isopropyl-4H-pyran-4-ylidene}malonodinitrile

Conditions

Conditions	Yield
With piperidine; acetic acid In acetonitrile for 8h; Heating;	65%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 2,3-diamino-6-fluorobenzamide

: C23H26FN5O3

Conditions

Conditions	Yield
With sodium hydrogen sulfite In methanol for 12h; Reflux;	64%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 92874-17-4
4-bromo-N-butylnaphthalimide

: C27H27N3O3

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 6h; Reflux; Inert atmosphere;	62%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 923950-47-4
C27H29ClN4O2

: C38H42N6O3

Conditions

Conditions	Yield
In acetonitrile for 6h; Reflux;	61%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 23051-44-7
3-dicyanomethylidene-1,5,5-trimethylcyclohexene

: -2-(5,5-dimethyl-3-(4-(piperazin-1-yl)styryl)cyclohex-2-en-1-ylidene) malononitrile

Conditions

Conditions	Yield
With piperidine In ethanol for 5h; Inert atmosphere; Reflux;	61%
With piperidine In ethanol for 5h; Inert atmosphere; Reflux;	61%
With piperidine; acetic acid In toluene for 8h; Reflux;	42%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 1233515-62-2
N2,N6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyridine-2,6-dicarboxamide

: N2,N6-bis(N-(1-{(2E)-2-[4-(piperazin-1-yl)benzylidene]hydrazinyl}-2-methyl-1-oxo-propan-2-yl))pyridine-2,6-dicarboxamide

Conditions

Conditions	Yield
With acetic acid Reflux;	57%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: C25H26ClN7O2

Conditions

Conditions	Yield
With caesium carbonate In chloroform at 20℃; for 16h;	56%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: C11H12NO4(1-)*K(1+)

: C21H25N3O3

Conditions

Conditions	Yield
With manganese(IV) oxide; copper(l) iodide; zinc diacetate In N,N-dimethyl-formamide at 30℃; for 45h; Inert atmosphere; Sealed tube; chemoselective reaction;	53%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 672-89-9
4-methoxy-6-methyl-2H-pyran-2-one

: (E)-4-methoxy-6-(4-(piperazin-1-yl)styryl)-2H-pyran-2-one

Conditions

Conditions	Yield
With magnesium methanolate In methanol for 20h; Reflux; Inert atmosphere;	20%

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: C33H37N4O3(1+)

: C44H49N6O3(1+)

Conditions

Conditions	Yield
With potassium iodide In ethanol for 12h; Inert atmosphere; Reflux;	15%

: 110-89-4
piperidine

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 59-48-3
2-oxoindole

: 3-[4-(4-Formylpiperazin-1-yl)benzylidenyl]-2-indolinone

Conditions

Conditions	Yield
In ethanol	199.5 mg (65%)

...Expand

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 36082-50-5
2,4-dichloro-5-bromopyrimidine

: 1259179-50-4
C15H16Cl2N4O

Conditions

Conditions	Yield
Stage #1: 2,4-dichloro-5-bromopyrimidine With isopropylmagnesium chloride In tetrahydrofuran at -78 - -40℃; Inert atmosphere; Stage #2: 4-(piperazin-1-yl) benzaldehyde In tetrahydrofuran at -40 - 0℃; Inert atmosphere; Stage #3: With water; ammonium chloride In tetrahydrofuran Inert atmosphere;

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 1402709-63-0
1-(4-(4-(6-bromo-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)phenyl)piperazin-1-yl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C / Inert atmosphere 2: sodium dithionite / ethanol; water / 20 h / 80 °C View Scheme

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 75-36-5
acetyl chloride

: 890092-19-0
4-(4-acetylpiperazin-1-yl)benzaldehyde

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 4h; Inert atmosphere;	0.052 g

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 91748-47-9
4-Chloro-2-(pyridin-2-yl)-quinazoline

: 1431939-93-3
1-(4-{4-[2-(pyridin-2-yl)quinazolin-4-yl]piperazin-1-yl}phenyl)methanone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 110℃;

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: C16H11N3OS

: C27H23N5OS

Conditions

Conditions	Yield
With piperidine In ethanol at 80℃; for 16h;	25 mg

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 924200-99-7
C17H12N2OS

: C28H24N4OS

Conditions

Conditions	Yield
With piperidine In ethanol at 80℃; for 16h;	26 mg

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: 5654-97-7
7-azaoxindole

: C18H18N4O

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 20℃;

: 27913-98-0
4-(piperazin-1-yl) benzaldehyde

: C20H19N3O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium ethanolate / ethanol / 20 °C 2: 50 °C View Scheme

4-Piperazin-1-ylbenzaldehyde Specification

The 4-Piperazin-1-ylbenzaldehyde, with the CAS registry number 27913-98-0, is also known as Benzaldehyde, 4-(1-piperazinyl)-. This chemical's molecular formula is C₁₁H₁₄N₂O and formula weight is 190.24. What's more, its IUPAC name is 4-piperazin-4-ium-1-ylbenzaldehyde.

Physical properties of 4-Piperazin-1-ylbenzaldehyde are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 5; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 32.34 Å²; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 56.559 cm³; (12)Molar Volume: 169.4 cm³; (13)Surface Tension: 43.946 dyne/cm; (14)Density: 1.123 g/cm³; (15)Flash Point: 179.736 °C; (16)Enthalpy of Vaporization: 62.087 kJ/mol; (17)Boiling Point: 373.581 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES:O=Cc1ccc(cc1)N2CCNCC2
(2)InChI: InChI=1S/C11H14N2O/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13/h1-4,9,12H,5-8H2
(3)InChIKey: BTTAIIUFVILNAC-UHFFFAOYSA-N

Product Name

4-PIPERAZIN-1-YL-BENZALDEHYDE

Synthetic route

4-Piperazin-1-ylbenzaldehyde Specification

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