(S)-4-Boc-Piperazine-3-carboxylic acid
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(S)-4-Boc-Piperazine-3-carboxylic acid
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CAS No:
159532-59-9
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Formula:
C10H18N2O4
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Chemical Name:
(S)-4-Boc-Piperazine-3-carboxylic acid
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Synonyms:
(S)-1-Boc-piperazine-2-carboxylic acid;S-4-Boc-Piperazine-3-carboxylicacid;(S)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester;REF DUPL: (S)-1-N-Boc-piperazine-2-carboxylic acid;1-Boc-Piperazine-2-carboxylic acid ,98%;(2S)-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid;(S)-1-Boc-piperazine-2-carboxylic acid98%;S-1-BOC-piperazidine-2- formic acid
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CAS No:
Characteristics
78.9
-2.2
1.193±0.06 g/cm3(Predicted)
243-247 ºC (DEC.)
371.8±37.0 °C(Predicted)
178.6±26.5 °C
1.495
1.5E-06mmHg at 25°C
(S)-4-Boc-Piperazine-3-carboxylic acid Use and Manufacturing
To an ice-cooled solution of fV)- l -(/c/7-butoxycarbonyl)piperazine-2-carboxylic acid (2.20 g, 9.6 mmol) and DIPEA (4.2 mL, 23.9 mmol) in water (14 mL) was dropped a solution of 9-fluorenylmethyl chloroformate B3-1 (2.72 g, 10.5 mmol) in 1, 4- dioxane, and stirred at room temperature for 6 hours. The reaction mixture was diluted with water (30 mL) and extracted with dichloromethane (30 mL x 4). The combined organic extracts were washed with saturated sodium bicarbonate solution (30 mL) and water (30 mL) and 1N HC1 solution (30 mL) and water (30 mL), dried over anhydrous sodium sulfate, filtered, and concentrated to give intermediate B3-2: LC-MS (ESI) m/z: 475 [M+Na]+.
Computed Properties
Molecular Weight:230.26
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:230.12665706
Monoisotopic Mass:230.12665706
Topological Polar Surface Area:78.9
Heavy Atom Count:16
Complexity:285
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(S)-4-Boc-Piperazine-3-carboxylic acid
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