(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
- Product Name
- (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
- Formula Weight
- 226.25
- MOL File
- 579474-47-8.mol
(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Property
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- B4236
- Product name
- N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine
- Purity
- >98.0%(T)
- Packaging
- 200mg
- Price
- $59
- Updated
- 2025/07/31
- Product number
- B4236
- Product name
- N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine
- Purity
- >98.0%(T)
- Packaging
- 1g
- Price
- $176
- Updated
- 2025/07/31
- Product number
- A608495
- Product name
- N-(2-Amino-4-fluorophenyl)-1,1-dimethylethylEsterCarbamicAcid
- Packaging
- 5g
- Price
- $825
- Updated
- 2021/12/16
- Product number
- HCH0050986
- Product name
- (2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $968.97
- Updated
- 2021/12/16
- Product number
- 4651-3-07
- Product name
- tert-Butyl N-(2-amino-4-fluorophenyl)carbamate
- Purity
- 96%
- Packaging
- 1g
- Price
- $1328
- Updated
- 2021/12/16
(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,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
Preparation Products
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