ChemicalBook > CAS DataBase List > (2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER

(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

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(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

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Safety

Hazard Codes: Xn
Risk Statements: 22
HS Code: 2921.51.5000

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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.

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N-Bromosuccinimide Price

TCI Chemical

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

TCI Chemical

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

TRC

Product number: A608495
Product name: N-(2-Amino-4-fluorophenyl)-1,1-dimethylethylEsterCarbamicAcid
Packaging: 5g
Price: $825
Updated: 2021/12/16

American Custom Chemicals Corporation

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

SynQuest Laboratories

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

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(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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(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Suppliers

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579474-47-8, (2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTERRelated Search:

TERT-BUTYL N-[(1-BENZYL-4-PIPERIDINYL)METHYL]CARBAMATE tert-Butyl 6-methylpiperidin-3-ylcarbamate tert-butyl (pyrrolidin-3-yl)methylcarbamate Carbamic acid, (6-methyl-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI) Sulfamic acid 6,7-DIFLUORO-3,4-DIHYDRO-2H-QUINOXALINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER 4-FLUOROANILINE, N-BOC PROTECTED

(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

N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine

tert-Butyl N-(2-amino-4-fluorophenyl)carbamate

N1-Boc-4-fluoro-1,2-phenylenediamine

579474-47-8