| Identification | More | [Name]
METHYL 4-BOC-PIPERAZINE-2-CARBOXYLATE | [CAS]
129799-08-2 | [Synonyms]
1-TERT-BUTYL-3-METHYL-PIPERAZINE-1,3-DICARBOXYLATE
4N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER
METHYL 4-BOC-PIPERAZINE-2-CARBOXYLATE
METHYL 4N-BOC-PIPERAZINE-2-CARBOXYLATE
N-4-BOC-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER
N-T-BUTOXYCARBONYL-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER
PIPERAZINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-METHYL ESTER
1-N-Boc-piperazine-3-carboxylic acid methyl ester
(R)-N4-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER | [Molecular Formula]
C11H20N2O4 | [MDL Number]
MFCD01632465 | [Molecular Weight]
244.29 | [MOL File]
129799-08-2.mol |
| Chemical Properties | Back 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 | [solubility ]
Soluble in dimethyl sulfoxide. | [pka]
6.45±0.40(Predicted) | [Appearance]
White to light yellow Solid-Liquid Mixture | [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 | [InChIKey]
QUKAHFCVKNRRBU-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCNC(C(OC)=O)C1 | [CAS DataBase Reference]
129799-08-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P280a-P304+P340-P305+P351+P338-P405-P501a | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HS Code ]
2933599590 |
| Hazard Information | Back Directory | [Uses]
It is used as pharmaceutical intermediate. | [Synthesis]
Step 3: 10% Pd-C (0.2 equiv) was added to a stirred methanol solution of 0.1 M methyl 1-Cbz-4-Boc-2-piperazinecarboxylate (A2) and the mixture was stirred for 3 hours at room temperature under hydrogen atmosphere. After completion of the reaction, the mixture was filtered, the filter cake was washed with methanol and the filtrate was evaporated under reduced pressure to give methyl 1-BOC-3-piperazinecarboxylate (A3) in 95% yield. The product was characterized as follows: 1H NMR (400 MHz, CDCl3, 300 K) δ 4.02 (1H, m), 3.74 (3H, s), 3.70 (1H, m), 3.43 (1H, m), 3.20 (1H, m), 3.04 (2H, m), 2.75 (1H, m), 2.14 (1H, m), 1.47 (9H, s). s).MS (ES+) C11H20N2O4 theoretical value 244, measured value: 267 (M + Na)+. | [References]
[1] Patent: WO2010/23480, 2010, A1. Location in patent: Page/Page column 44
[2] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 23, p. 4241 - 4244
[3] Patent: WO2005/79799, 2005, A1. Location in patent: Page/Page column 18
[4] Patent: US5736539, 1998, A
[5] Patent: US6251902, 2001, B1 |
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