| Identification | More | [Name]
3-Amino-4-fluorobenzoic acid | [CAS]
2365-85-7 | [Synonyms]
3-AMINO-4-FLUOROBENZOIC ACID
3-Amino-4-Fluorobenzoic | [EINECS(EC#)]
219-122-2 | [Molecular Formula]
C7H6FNO2 | [MDL Number]
MFCD00130055 | [Molecular Weight]
155.13 | [MOL File]
2365-85-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
184 °C | [Boiling point ]
335.5±27.0 °C(Predicted) | [density ]
1.430±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
4.30±0.10(Predicted) | [color ]
Off-white | [InChI]
InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11) | [InChIKey]
WFSPEVFSRUTRCN-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(F)C(N)=C1 | [CAS DataBase Reference]
2365-85-7(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Uses]
3-Amino-4-fluorobenzoic acid serves as a precursor for the synthesis of 3-amino-4-fluorobenzyl alcohol via reduction with BH3·THF[6]. | [Synthesis]
3-Nitro-4-fluorobenzoic acid (1.85 g, 10.0 mmol) was dissolved in methanol (10 mL) and 5% Pd/C catalyst (100 mg) was added. The reaction mixture was stirred for 6 hours under hydrogen atmosphere. Upon completion of the reaction, the catalyst was removed by filtration and the filter cake was washed with methanol. The filtrate was concentrated under reduced pressure to remove the volatile solvent to afford the target product 3-amino-4-fluorobenzoic acid (8A) as a light yellow solid (1.50 g, 9.67 mmol, 97% yield). | [References]
[1] Patent: US2004/77696, 2004, A1. Location in patent: Page/Page column 11
[2] Patent: WO2010/126922, 2010, A1. Location in patent: Page/Page column 60
[3] Tetrahedron, 2018, vol. 74, # 47, p. 6795 - 6803
[4] Journal of Organic Chemistry, 2014, vol. 79, # 11, p. 5134 - 5144
[5] Beilstein Journal of Organic Chemistry, 2013, vol. 9, p. 1873 - 1880 |
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