| Identification | More | [Name]
N-Boc-piperazine-2-carboxylic acid methyl ester | [CAS]
129799-15-1 | [Synonyms]
1-N-BOC-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER
1-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER
N-1-BOC-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER
PIPERAZINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER
METHYL 1-BOC-PIPERAZINE-2-CARBOXYLATE
N-Boc-piperazine-2-carboxylic acid methyl ester | [Molecular Formula]
C11H20N2O4 | [MDL Number]
MFCD01861779 | [Molecular Weight]
244.29 | [MOL File]
129799-15-1.mol |
| Chemical Properties | Back Directory | [Boiling point ]
321.3±37.0 °C(Predicted) | [density ]
1.118g/ml | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
gel/ oil | [pka]
7.25±0.40(Predicted) | [color ]
Yellow | [Optical Rotation]
-2.9800° (C=0.50 g/100ml, MEOH, 20°C, 589nm) | [InChI]
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3 | [InChIKey]
BRXKHIPPSTYCKO-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCNCC1C(OC)=O | [CAS DataBase Reference]
129799-15-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H332-H335 | [Precautionary statements ]
P261-P280-P305+P351+P338 | [Hazard Codes ]
Xi | [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]
1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate is a useful research chemical compound used in the preparation of piperazinylcarbonylaminomethylcarbonylpiperidines as melanocortin-4 receptor agonists. | [Synthesis]
The general procedure for the synthesis of methyl N-1-Boc-2-piperazinecarboxylate from 4-benzyl 1-tert-butyl 2-methylpiperazine-1,2,4-tricarboxylate is as follows:
Example 53 - Preparation of Intermediate 18: The synthesis of Intermediate 18 followed General Procedure 14. To a solution of Intermediate 17 (1-benzyl stirred solution of 4-benzyl 1-methylpiperazine-1,2,4-tricarboxylic acid, 10 g, 26.5 mmol) in MeOH (100 mL) was added 10% Pd/C (30% w/w, 3.0 g). The mixture was placed in a steel vessel and stirred at room temperature under 50 psi hydrogen pressure for 5 hours. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad and the volatiles were concentrated under reduced pressure to afford 1-tert-butyl 2-methylpiperazine-1,2-dicarboxylate (Intermediate 18, 5.6 g, Yield: 88%) as a light yellow liquid.TLC conditions: 5% methanol-dichloromethane, Rf=0.3. | [References]
[1] Patent: WO2016/138532, 2016, A1. Location in patent: Paragraph 0288
[2] Patent: US2010/160323, 2010, A1. Location in patent: Page/Page column 47
[3] Patent: US4997836, 1991, A
[4] Patent: EP368670, 1990, A1
[5] Patent: US2004/116518, 2004, A1. Location in patent: Page 42 |
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