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80518-57-6

80518-57-6 Structure

80518-57-6 Structure
IdentificationBack Directory
[Name]

4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER
[CAS]

80518-57-6
[Synonyms]

EOS-62141
Ethyl 4-Piperazinobenzoate
ETHYL 4-(PIPERAZIN-1YL)BENZOA
ETHYL 4-(1-PIPERAZINO)BENZOATE
ETHYL 4-(PIPERAZIN-1YL)BENZOATE
Ethyl 4-(1-piperazinyl)benzoate
1-(4-Carbethoxyphenyl)-piperazin
4-(Piperazin-1-yl)-benzoic acid eth
N-(4-Ethoxycarbonylphenyl)piperazine
1-(4-Ethoxycarbonylphenyl)piperazine
Ethyl 4-(1-piperazinyl)benzoate, 97+%
4-(1-Piperazinyl)benzoic Acid Ethyl Ester
4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER
4-(PIPERAZINE-1-YL)-BENZOIC ACID ETHYL ESTER
Benzoic acid, 4-(1-piperazinyl)-, ethyl ester
4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER >98%
[Molecular Formula]

C13H18N2O2
[MDL Number]

MFCD04973340
[MOL File]

80518-57-6.mol
[Molecular Weight]

234.29
Chemical PropertiesBack Directory
[Melting point ]

102-105°C
[Boiling point ]

388.9±27.0 °C(Predicted)
[density ]

1.104±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Chloroform, DMSO, Methanol
[form ]

Solid
[pka]

8.82±0.10(Predicted)
[color ]

Pale Yellow
[InChI]

InChI=1S/C13H18N2O2/c1-2-17-13(16)11-3-5-12(6-4-11)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
[InChIKey]

OQEHTFFLOHTFSB-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C1=CC=C(N2CCNCC2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H302
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[Hazard Note ]

Irritant
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

Intermediate in the production of ABT 737
[Synthesis]

Dissolve 52.3 g (0.44 mol) of sulfoxide chloride in 10 mL of chloroform in a four-necked flask equipped with a reflux condenser tube and an ice-water bath, stir mechanically, and use water to absorb the tail gas. The mixture of diethanolamine 21.5g (0.2 m
Spectrum DetailBack Directory
[Spectrum Detail]

4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER(80518-57-6)1HNMR
4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER(80518-57-6)IR
4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER(80518-57-6)FT-IR
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