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| | (S)-1-CBZ-3-PYRROLIDINOL 95 Basic information |
| Product Name: | (S)-1-CBZ-3-PYRROLIDINOL 95 | | Synonyms: | (S)-(+)-1-Cbz-3-pyrrolidinol 98%;(S)-3-hydroxy-1-pyrrolidinecarboxylic acid phenylmethyl ester;S-1-N-CBZ-3- hydroxy-pyrroline;(S)-1-Cbz-3-pyrrolidinol
(S)-1-Carbobenzoxy-3-hydroxypyrrolidine;(S)-(-)-1-Benzyloxycarbonyl-3-hydroxypyrrolidine, 95%;(S)-(+)-1-Cbz-3-pyrrolidinol, 98%, ee: 98%;(S)-(+)-1-Cbz-3-pyrrolidinol, ee: 98%;1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)- | | CAS: | 100858-32-0 | | MF: | C12H15NO3 | | MW: | 221.25 | | EINECS: | | | Product Categories: | Pyrrole&Pyrrolidine&Pyrroline | | Mol File: | 100858-32-0.mol |  |
| | (S)-1-CBZ-3-PYRROLIDINOL 95 Chemical Properties |
| Melting point | 71-77 °C | | Boiling point | 370.7±42.0 °C(Predicted) | | density | 1.263±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | solid | | pka | 14.72±0.20(Predicted) | | Appearance | White to off-white Solid | | Optical Rotation | [α]20/D +21°, c = 1 in chloroform | | InChI | InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1 | | InChIKey | MBLJFGOKYTZKMH-NSHDSACASA-N | | SMILES | N1(C(OCC2=CC=CC=C2)=O)CC[C@H](O)C1 |
| Hazard Codes | T | | Risk Statements | 25-36/37/38 | | Safety Statements | 26-36-45-25 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | HazardClass | 6.1 | | HS Code | 29339900 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | (S)-1-CBZ-3-PYRROLIDINOL 95 Usage And Synthesis |
| Chemical Properties | White to off-white crystal powder or solid | | Synthesis | General procedure for the synthesis of benzyl (S)-3-hydroxypyrrolidine-1-carboxylate using N-Cbz-3-pyrrolidone as starting material: a reaction mixture containing 200 mM substrate, 1 mM NAD+, 5% (v/v) 2-propanol, and 10 mg of the crude enzyme READH was prepared in 1 mL of potassium phosphate buffer (100 mM, pH 7.0) and warmed at 50 °C. For ChKRED20, 40% (v/v) 2-propanol was used and the reaction was carried out at 40°C. The reaction progress was monitored by TLC and the reaction was terminated by extraction with methyl tert-butyl ether (1 mL). The organic phase was dried over anhydrous sodium sulfate and concentrated. Samples were analyzed by chiral HPLC to determine conversion and enantiomeric excess. The final product was purified by silica gel column chromatography and the structure was confirmed by NMR, spin determination and mass spectrometry. | | References | [1] Process Biochemistry, 2017, vol. 56, p. 90 - 97 |
| | (S)-1-CBZ-3-PYRROLIDINOL 95 Preparation Products And Raw materials |
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