2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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CAS No:
769944-39-0
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Formula:
C15H21ClN2O2
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Chemical Name:
2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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Synonyms:
2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-Boc-2-(4-chlorophenyl)piperazine;tert-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate
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CAS No:
2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Basic Attributes
296.79
296.12900
DTXSID50659466
2933599090
2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Use and Manufacturing
Solution of 4- (TERT-BUTOXYCARBONYL)-3- (4-CHLOROPHENYL)-PIPERAZIN-2-ONE (500 mg, 1. 6 mmol) and acetic acid (929, U 1, 16 mmol) were added to a refluxed solution of sodium borohydride (608 mg, 16 mmol) in 1, 4-dioxan (5 ml) and reflux was continued. The reaction was quenched by water and extracted with dichloromethane and washed with brine and dried. After removal of the solvent, residue was purified by silica gel column chromatography to give 4- (TERT-BUTOXYCARBONYL)-3- (4-CHLOROPHENYL) piperazine (330 mg, 69percent). 1H-NMR (CDC13) A 1. 46 (9H, s), 2. 76-2. 99 (3H, m), 3. 13 (1H, dd, J=13. 0 Hz, 4. 3 Hz), 3. 45-3. 49 (2H, m), 3. 92 (1H, m), 5. 15 (1H, s), 7. 27-7. 33 (4H, m).
Computed Properties
Molecular Weight:296.79
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:296.1291556
Monoisotopic Mass:296.1291556
Topological Polar Surface Area:41.6
Heavy Atom Count:20
Complexity:335
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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