N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine
- CAS No.
- 10068-52-7
- Chemical Name:
- N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine
- Synonyms
- 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid;2-(Cbz-amino)-3,3,3-trifluoropropanoic Acid;N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine;3,3,3-Trifluoro-N-[(phenylMethoxy)carbonyl]alanine;Alanine, 3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]-;3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid
- CBNumber:
- CB72454503
- Molecular Formula:
- C11H10F3NO4
- Molecular Weight:
- 277.2
- MDL Number:
- MFCD28369079
- MOL File:
- 10068-52-7.mol
- MSDS File:
- SDS
| Melting point | 112 °C |
|---|---|
| Boiling point | 401.3±45.0 °C(Predicted) |
| Density | 1.418±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 2.35±0.10(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C11H10F3NO4/c12-11(13,14)8(9(16)17)15-10(18)19-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17) |
| InChIKey | JBNIYYRTJUAMKZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(NC(OCC1=CC=CC=C1)=O)C(F)(F)F |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine price More Price(26)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Synthonix | B54337 | 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid 97% | 10068-52-7 | 100mg | $80 | 2026-05-06 | Buy |
| Synthonix | B54337 | 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid 97% | 10068-52-7 | 1g | $410 | 2026-05-06 | Buy |
| ACHEMBLOCK | X197494 | 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid 97.00% | 10068-52-7 | 250MG | $160 | 2026-05-27 | Buy |
| ACHEMBLOCK | X197494 | 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid 97.00% | 10068-52-7 | 1G | $450 | 2026-05-27 | Buy |
| Crysdot | CD21019805 | 2-(((Benzyloxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid 95+% | 10068-52-7 | 100mg | $220 | 2026-05-27 | Buy |
N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine Chemical Properties, Uses, Production
Uses
3,3,3-Trifluoro-N-[(phenylmethoxy)carbonyl]alanine, can be used for the synthesis of 3,3,3-Trifluoroalanine and of 3,3,3-Trifluoroalanyl peptides.
Synthesis
17463-43-3
501-53-1
![N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINE](/CAS/GIF/10068-52-7.gif)
10068-52-7
Sodium carbonate (1.90 g, 17.93 mmol) and benzyl chloroformate (624 mg, 3.65 mmol) were sequentially added to a mixed solution of 3,3,3-trifluoro-DL-alanine (475 mg, 3.32 mmol) in 1,4-dioxane (15 mL) and water (15 mL) at 0 °C. The reaction mixture was stirred at room temperature for 5 hours. After completion of the reaction, the pH of the reaction mixture was adjusted to 2-3 with 4 M hydrochloric acid solution. the reaction mixture was extracted with ethyl acetate (50 mL x 3). The organic phases were combined, washed with saturated sodium chloride solution and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure and the residue was purified by reversed-phase fast chromatography using gradient elution with acetonitrile-water (15% to 30%, 30 min) to afford N-Cbz-2-amino-3,3,3-trifluoropropionic acid (500 mg, 54%) as a white solid. Mass spectrum (MS): m/z = 276 [M-H]-.
References
[1] Patent: WO2017/106607, 2017, A1. Location in patent: Paragraph 00588
[2] Chemische Berichte, 1970, vol. 103, # 6, p. 1655 - 1708
N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine Preparation Products And Raw materials
Raw materials
Preparation Products
N-[(Benzyloxy)carbonyl]-3,3,3-trifluoroalanine Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Cochemical Ltd. | 029-86115547 17791676824 | sales@cochemical.com | China | 3014 | 58 |
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| BePharm Ltd | 400-685-9117 | market@bepharm.com | China | 15081 | 60 |
| Cochemical Ltd. | 029-86115547 17791676824 | sales@cochemical.com | China | 6746 | 58 |
| Aikon International Limited | 025-66113011 19370895928 | qzhang@aikonchem.com | China | 15390 | 58 |
| 3A Chemicals | 400-668-9898 | service@3achem.com | China | 20535 | 58 |
| Shanghai Jizhi Biochemical Technology Co. Ltd. | 021-4009004166/18616739031 18616739031 | 3007523370@qq.com | China | 40000 | 58 |
| Shenzhen Polymeri Biochemical Technology Co., Ltd. | +86-400-002-6226 | sales@rrkchem.com | China | 57336 | 58 |
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