N-trans-BOC-(3S)-Fluoropyrrolidine
- CAS No.
- 479253-00-4
- Chemical Name:
- N-trans-BOC-(3S)-Fluoropyrrolidine
- Synonyms
- 1-BOC-3-FLUORO PYRROLIDINE;(S)-N-BOC-3-FLUOROPYRROLIDINE;(S)-1-BOC-3-FLUORO PYRROLIDINE;N-T-BOC-(3S)-FLUOROPYRROLIDINE;TRANS-BOC-(3S)-FLUOROPYRROLIDINE;N-trans-BOC-(3S)-Fluoropyrrolidine;(S)-1-Boc-3-fluoropyrrolidine;(S)-(+)-1-Boc-3-fluoropyrrolidine,96%;(3S)-3-Fluoropyrrolidine, N-BOC protected;tert-butyl (S)-3-fluoropyrrolidine-1-carboxylate
- CBNumber:
- CB3199398
- Molecular Formula:
- C9H16FNO2
- Molecular Weight:
- 189.23
- MDL Number:
- MFCD04114064
- MOL File:
- 479253-00-4.mol
- MSDS File:
- SDS
| Boiling point | 74-80℃/2mm |
|---|---|
| Density | 1.069 g/mL at 25 °C |
| Flash point | 103°(217°F) |
| refractive index | 1.4410 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | Liquid |
| pka | -3.60±0.40(Predicted) |
| color | Colorless to pale yellow |
| Sensitive | Moisture Sensitive |
| InChI | 1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1 |
| InChIKey | SUECTKVSIDXQQE-ZETCQYMHSA-N |
| SMILES | CC(C)(C)OC(=O)N1CC[C@H](F)C1 |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS06,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301-H319-H400 | |||||||||
| Precautionary statements | P273-P301+P310-P305+P351+P338-P280i-P301+P310a-P321-P405-P501a | |||||||||
| Hazard Codes | T,N | |||||||||
| Risk Statements | 25-36-50 | |||||||||
| Safety Statements | 26-45-61 | |||||||||
| RIDADR | UN 2810 6.1 / PGIII | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | 6.1 | |||||||||
| HS Code | 2933998090 | |||||||||
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
|||||||||
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Eye Irrit. 2 |
|||||||||
| NFPA 704 |
|
N-trans-BOC-(3S)-Fluoropyrrolidine price More Price(29)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | PC1252 | (3S)-3-Fluoropyrrolidine, N-BOC protected 97% | 479253-00-4 | 250mg | $64 | 2026-06-04 | Buy |
| Matrix Scientific | 092516 | (S)-1-Boc-3-Fluoropyrrolidine | 479253-00-4 | 250.00mg | $63 | 2026-05-18 | Buy |
| Matrix Scientific | 092516 | (S)-1-Boc-3-Fluoropyrrolidine | 479253-00-4 | 1.00g | $93 | 2026-05-18 | Buy |
| Matrix Scientific | 092516 | (S)-1-Boc-3-Fluoropyrrolidine | 479253-00-4 | 5.00g | $280 | 2026-05-18 | Buy |
| Synthonix | B50495 | (S)-N-BOC-3-FLUOROPYRROLIDINE 97% | 479253-00-4 | 100mg | $81 | 2026-05-06 | Buy |
N-trans-BOC-(3S)-Fluoropyrrolidine Chemical Properties, Uses, Production
Synthesis
83220-73-9
479253-00-4
1. Fluorination: To a solution of tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate (2.62 g) in dichloromethane (50 mL) was slowly added diethylaminosulfur trifluoride (2.22 mL) at -78°C. The mixture was gradually brought to room temperature and stirred for 75 minutes. The reaction mixture was gradually brought to room temperature and stirred for 75 minutes. 2. Post-treatment: The reaction mixture was poured into ice water and the organic layer was separated. The organic layer was dried with anhydrous magnesium sulfate and filtered to remove the desiccant. 3. Purification: The solvent was removed by evaporation under reduced pressure and the resulting residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate gradient) to afford tert-butyl (3S)-3-fluoropyrrolidine-1-carboxylate (676 mg, 26% yield) as an oily product. 4. 4. Product characterization: 1H-NMR (400 MHz, CDCl3) δ: 1.45 (9H, s), 2.17-2.26 (1H, m), 3.52-3.68 (5H, m), 5.20 (1H, dt, J = 52.7, 3.4 Hz).
References
[1] Patent: EP1785418, 2007, A1. Location in patent: Page/Page column 44
[2] Patent: WO2006/19833, 2006, A1. Location in patent: Page/Page column 62-63
[3] Patent: WO2006/40625, 2006, A1. Location in patent: Page/Page column 47-48
[4] Patent: WO2004/69256, 2004, A1. Location in patent: Page/Page column 48
N-trans-BOC-(3S)-Fluoropyrrolidine Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Pure Chemistry Scientific Inc. | 001-857-928-2050 or 1-888-588-9418 | sales@chemreagents.com | United States | 10174 | 62 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| China DongFan Chemical Co.,LTD | 86-0571-85151182 | China | 5681 | 66 | |
| Porse Fine Chemical Co.,LTD | 20-66003216 18666003216 | info@porsefinechemical.com | China | 1963 | 62 |
| Shanghai AQBioPharma Co., Ltd. | 13661411401 | yinglv.que@aqbiopharma.com.cn | China | 2976 | 58 |
| Sigma-Aldrich | 021-61415566 800-8193336 | orderCN@merckgroup.com | China | 51389 | 80 |
| Accela ChemBio Inc. | +1(858) 699-3322 | marketing@accelachem.com | United States | 6022 | 65 |
| BTC Pharmaceutical CO. Ltd | +86-15716293042 15716293042 | info@btcpharm.com | China | 823 | 55 |
| Zhengzhou Alfachem Co.,Ltd. | 0371-53778726 18003825608 | liuxiaoyan@alfachem.cn | China | 1971 | 58 |
| Shanghai Qiao Chemical Science Co., Ltd | 021-58892003 | info@qiaochem.com | China | 6065 | 65 |
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