ChemicalBook--->CAS DataBase List--->314741-39-4

314741-39-4

314741-39-4 Structure

314741-39-4 Structure
IdentificationBack Directory
[Name]

(S)-4-N-Boc-piperazine-2-carboxylic acid methyl ester
[CAS]

314741-39-4
[Synonyms]

(S)-4-Boc-piperazine-2-carboxylic a
Methyl (S)-4-Boc-piperazine-2-carboxylate
S-1-Boc-piperazine-3-carboxylic acid Methyl ester
(S)-N-Boc-3-piperazinecarboxylic acid Methyl ester
(S)-4-Boc-Piperazine-2-carboxylic acid methyl ester
(S)-N4-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER
(S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester
(S)-4-N-Boc-piperazine-2-carboxylic acid methyl ester
(S)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL EASTER
1-tert-butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate
1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
1-(tert-butyl) 3-methyl (S)-piperazine-1,3-dicarboxylate
1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate
REF DUPL: (S)-4-N-Boc-piperazine-2-carboxylic acid methyl ester
1,3-Piperazinedicarboxylic acid, 1-(1,1-diMethylethyl) 3-Methyl ester, (3S)-
[Molecular Formula]

C11H20N2O4
[MDL Number]

MFCD04115326
[MOL File]

314741-39-4.mol
[Molecular Weight]

244.29
Chemical PropertiesBack Directory
[Boiling point ]

321.3±37.0 °C(Predicted)
[density ]

1.118±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

6.45±0.40(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1
[InChIKey]

QUKAHFCVKNRRBU-QMMMGPOBSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCN[C@H](C(OC)=O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Flame (GHS02)
GHS07,GHS02
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H228
[Precautionary statements ]

P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-N-Boc-piperazine-2-carboxylic acid methyl ester(314741-39-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

1,2,4-Piperazinetricarboxylic acid,4-(1,1-dimethylethyl)2-methyl1-(phenylmethyl)ester,(2S)-

314741-38-3

(S)-4-N-Boc-piperazine-2-carboxylic acid methyl ester

314741-39-4

Step 3: Synthesis of 3-tert-butyl 3-methyl(S)-piperazine dicarboxylate (AA3); 10% Pd-C (0.2 eq.) was added to a stirred methanolic solution (0.1 M) of AA 2 at room temperature. The reaction mixture was placed under hydrogen atmosphere and stirred at room temperature for 3 hours. After completion of the reaction, the mixture was filtered and the filter cake was washed with methanol. The filtrate was concentrated under reduced pressure to afford the target product methyl (S)-1-N-Boc-3-piperazinecarboxylate in 89% yield. The product was confirmed by 1H NMR (400 MHz, CDCl3,300K): δ 4.05 (1H, m), 3.76 (3H, s), 3.74-3.68 (1H, m), 3.44 (1H, dd, J = 8.6,3.5 Hz), 3.30-3.12 (1H, m), 3.10-3.00 (2H, m), 2.75 ( 1H, m), 2.17-1.74 (1H, m), 1.47 (9H, s). Mass spectrometry analysis (ES +) showed that the theoretical molecular weight of C11H20N2O4 was 244 and the measured value was 267 (M + Na)+.

[References]

[1] Patent: WO2010/23480, 2010, A1. Location in patent: Page/Page column 41
[2] Patent: US2003/203917, 2003, A1
[3] Patent: EP1187828, 2004, B1. Location in patent: Page 12
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