Basic Information | Post buying leads | Suppliers | 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:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Piperazin-1-yl-benzaldehyde;4-(Piperazin-1-yl)benzaldehyde;Benzaldehyde, 4-(1-piperazinyl)-; |
Article Data | 8 |
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% |
4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde
4-(piperazin-1-yl) benzaldehyde
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; for 1.5h; |
4-(piperazin-1-yl) benzaldehyde
Conditions | Yield |
---|---|
With palladium 10% on activated carbon In methanol at 120℃; for 24h; Sealed tube; | 92.6% |
4-(piperazin-1-yl) benzaldehyde
di-tert-butyl dicarbonate
4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde
Conditions | Yield |
---|---|
In tetrahydrofuran; dichloromethane at 20℃; for 16h; Inert atmosphere; | 92% |
4-(piperazin-1-yl) benzaldehyde
3-dicyanomethylidene-1,5,5-trimethylcyclohexene
Conditions | Yield |
---|---|
In ethanol Concentration; Reflux; | 87% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20 - 30℃; Inert atmosphere; | 83.1% |
4-(piperazin-1-yl) benzaldehyde
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 |
4-(piperazin-1-yl) benzaldehyde
6-bromo-2-(2-morpholinoethyl)-1H-benzo[de]isoquinoline1,3 (2 H)-dione
Conditions | Yield |
---|---|
In 2-methoxy-ethanol at 80℃; for 8h; | 72% |
Conditions | Yield |
---|---|
With toluene-4-sulfonamide In toluene at 120℃; for 12h; | 72% |
Conditions | Yield |
---|---|
With toluene-4-sulfonamide In toluene at 120℃; for 12h; | 71% |
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