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| | 4-Amino-piperidine-1-carboxylic acid benzyl ester Basic information |
| Product Name: | 4-Amino-piperidine-1-carboxylic acid benzyl ester | | Synonyms: | 1-N-CBZ-4-AMINO-PIPERIDINE;4-AMINO-1-N-CBZ-PIPERIDINE;1-Piperidinecarboxylic acid, 4-amino-, phenylmethyl ester;N-CBZ-4-aMinepiperidin;1-CBZ-4-AMINOPIPERIDINE;benzyl 4-aminopiperidine-1-carboxylate hydrochloride;N-CBZ-4-aminepiperidine;4-Amino-1-carbobenzoxypiperidine | | CAS: | 120278-07-1 | | MF: | C13H18N2O2 | | MW: | 234.29 | | EINECS: | | | Product Categories: | | | Mol File: | 120278-07-1.mol |  |
| | 4-Amino-piperidine-1-carboxylic acid benzyl ester Chemical Properties |
| Melting point | 68 °C(dec.) | | Boiling point | 367.2±42.0 °C(Predicted) | | density | 1.151±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | pka | 10.07±0.20(Predicted) | | form | powder to lump | | color | White to Light yellow | | Water Solubility | Slightly soluble in water. | | InChI | InChI=1S/C13H18N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2 | | InChIKey | YYIQGSYCCNQAGV-UHFFFAOYSA-N | | SMILES | N1(C(OCC2=CC=CC=C2)=O)CCC(N)CC1 |
| Hazard Codes | Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26-37-60 | | RIDADR | UN3259 | | HazardClass | 8 | | HS Code | 29333990 |
| | 4-Amino-piperidine-1-carboxylic acid benzyl ester Usage And Synthesis |
| Uses | It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field. | | Synthesis | General procedure for the synthesis of 1-Cbz-4-aminopiperidine (benzyl 4-aminopiperidine-1-carboxylate) from 1-Cbz-4-BOC-aminopiperidine: 4-(N-BOC amino)-Cbz piperidine (24.4 kg, 73.42 mol), THF (65 kg), and 5M HCl (23.0 kg, 110.13 mol) were mixed and heated to 30-35 °C for 2 h. The reaction was then continued at 55 °C overnight. After completion of the reaction, the mixture was cooled to 100 °C and dichloromethane (97 kg) and 10 M NaOH (7.97 kg, 145.12 mol) were added, controlling the temperature below 25 °C. After partitioning, the organic phase was washed with 25 wt% NaCl solution (27.5 kg). The washed organic phase was concentrated by distillation at atmospheric pressure to a volume of about 70 L. Subsequently, dichloromethane (162 kg) was added and concentrated by distillation again to a volume of about 120 L to give a dichloromethane solution of the title product 1-Cbz-4-aminopiperidine (17.2 kg, 100% yield). The structure of the product was confirmed by 1H NMR (CDCl3): δ 7.33 (5H, m), 5.14 (2H, s), 4.14 (2H, br s), 2.87 (3H, m), 1.83 (2H, m), 1.66 (3H, m), 1.28 (2H, m). | | References | [1] Patent: WO2009/91856, 2009, A2. Location in patent: Page/Page column 63-64 |
| | 4-Amino-piperidine-1-carboxylic acid benzyl ester Preparation Products And Raw materials |
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