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Cas Database

Name	4-Piperazin-1-ylbenzaldehyde	EINECS	604-604-1
CAS No.	27913-98-0	Density	1.123 g/cm³
PSA	32.34000	LogP	1.30250
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₁₄N₂O	Boiling Point	373.6 °C at 760 mmHg
Molecular Weight	190.245	Flash Point	179.7 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	Xi:;
Molecular Structure		Hazard Symbols	Xi
Synonyms	4-Piperazin-1-yl-benzaldehyde;4-(Piperazin-1-yl)benzaldehyde;Benzaldehyde, 4-(1-piperazinyl)-;	Article Data	8

4-Piperazin-1-ylbenzaldehyde 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%

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

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