(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester
- CAS No.
- 579474-47-8
- Chemical Name:
- (2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester
- Synonyms
- N1-Boc-4-fluoro-1,2-phenylenediamine;tert-Butyl N-(2-amino-4-fluorophenyl)carbamate;N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine;(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester;Carbamic acid, N-(2-amino-4-fluorophenyl)-, 1,1-dimethylethyl ester;N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine
- CBNumber:
- CB32460111
- Molecular Formula:
- C11H15FN2O2
- Molecular Weight:
- 226.25
- MDL Number:
- MFCD09701246
- MOL File:
- 579474-47-8.mol
- MSDS File:
- SDS
| Melting point | 135.0 to 139.0 °C |
|---|---|
| Boiling point | 281.0±30.0 °C(Predicted) |
| Density | 1.223±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| form | powder to crystal |
| pka | 12.45±0.70(Predicted) |
| color | White to Light yellow to Light orange |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| HS Code | 2921.51.5000 | |||||||||
| NFPA 704 |
|
(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester price More Price(42)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | B4236 | N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine >98.0%(T) | 579474-47-8 | 200mg | $47 | 2026-04-30 | Buy |
| TCI Chemical | B4236 | N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine >98.0%(T) | 579474-47-8 | 1g | $141 | 2026-04-30 | Buy |
| Activate Scientific | AS34000 | tert-Butyl 2-amino-4-fluorophenylcarbamate 98% | 579474-47-8 | 1g | $113 | 2026-06-04 | Buy |
| Activate Scientific | AS34000 | tert-Butyl 2-amino-4-fluorophenylcarbamate 98% | 579474-47-8 | 5g | $385 | 2026-06-04 | Buy |
| Chem-Impex | 45994 | N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine ≥98%(Assaybytitration) | 579474-47-8 | 250MG | $99.5 | 2026-05-19 | Buy |
(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester Chemical Properties, Uses, Production
Uses
N-(2-Amino-4-fluorophenyl)-1,1-dimethylethyl Ester Carbamic Acid is a reactant in the synthesis of Histone Deacetylase (HDAC) inhibitors in cancer lines.
Synthesis
579474-17-2
579474-47-8
General procedure for the synthesis of (2-amino-4-fluorophenyl)-carbamic acid-1,1-dimethylethyl ester from tert-butyl (4-fluoro-2-nitrophenyl)carbamate: To a solution of tetrahydrofuran (THF, 30 mL) of tert-butyl 4-fluoro-2-nitrophenylcarbamate (0.34 g) was added a pre-mixed aqueous solution of sodium bisulphite (2 g) and sodium bicarbonate (1 g) ( 50mL). To promote dissolution of the mixture, additional methanol (MeOH, 10 mL) was added, followed by stirring for 30 min at room temperature. Upon completion of the reaction, sodium chloride was added to saturate the solution. The reaction mixture was extracted with ethyl acetate (EtOAc, 2 x 30 mL). The organic phases were combined, dried over anhydrous sodium sulfate and filtered, and concentrated under reduced pressure to afford (2-amino-4-fluorophenyl)-carbamic acid-1,1-dimethylethyl ester (quantitative yield), and the product could be used in the subsequent reaction without further purification. The product was characterized by 1H-NMR (300 MHz, CDCl3): δ 7.5 (dd, 1H), 6.6 (dd, 1H), 6.5 (m, 1H), 6.4 (br s, 1H), 4.7 (br s, 2H), 1.5 (s, 9H) ppm; mass spectrometry analysis showed MH+ = 227 (minor peaks), 127 (-BOC fragment), 171 (-tBu fragment).
References
[1] Patent: US2008/85898, 2008, A1. Location in patent: Page/Page column 15
[2] Patent: US2008/119496, 2008, A1. Location in patent: Page/Page column 26
[3] Patent: WO2008/60301, 2008, A1. Location in patent: Page/Page column 63-64
[4] Patent: WO2009/48474, 2009, A1. Location in patent: Page/Page column 28
[5] Patent: CN107879975, 2018, A. Location in patent: Paragraph 0164; 0166
(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester Preparation Products And Raw materials
Raw materials
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Preparation Products
(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| T&W GROUP | 021-61551611 13296011611 | contact@trustwe.com | China | 9884 | 58 |
| Wuhan TCASChem Technology Co., Ltd. | 027-86697669 13986148687 | sales@tcaschem.com | China | 3997 | 55 |
| Shanghai Topbiochem Technology Co., Ltd | +86-21-60341587 | sales@topbiochem.com | China | 6166 | 58 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
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| SynAsst Chemical. | 021-60343070 | China | 12731 | 55 | |
| Shanghai ChriChem Co., Ltd. | 021-54880687 | China | 510 | 55 | |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
