| Identification | Back Directory | [Name]
2-Fluoro-5-hydroxybenzenecarbonitrile | [CAS]
104798-53-0 | [Synonyms]
3-Cyano-4-fluorophenol
2-Fluoro-5-hydroxybenzene
Fluoro-5-hydroxybenzonitrile
2-Fluoro-5-hydroxybenzonitrile
Benzonitrile, 2-fluoro-5-hydroxy-
2-Fluoro-5-hydroxybenzonitrile 98%
2-Fluoro-5-hydroxybenzenecarbonitrile | [Molecular Formula]
C7H4FNO | [MDL Number]
MFCD11846514 | [MOL File]
104798-53-0.mol | [Molecular Weight]
137.11 |
| Chemical Properties | Back Directory | [Melting point ]
111-113° | [Boiling point ]
268℃ | [density ]
1.34 | [Fp ]
116℃ | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
solid | [pka]
8.59±0.18(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C7H4FNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H | [InChIKey]
HFLYBTRQFOKYHC-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC(O)=CC=C1F |
| Hazard Information | Back Directory | [Chemical Properties]
off-white crytalline | [Synthesis]
Example 2 Steps for the synthesis of 2,4-diaminoquinazolin-6-yl-2,5-dimethoxybenzoate (Compound 32):
Step I: 2-fluoro-5-methoxybenzonitrile (10 g, 0.066 mol) was dissolved in dry dichloromethane (DCM, 200 ml) and cooled to 0 °C. Boron tribromide (BBr3, 16 ml, 0.0092 mol) was slowly added under stirring, followed by warming the reaction mixture to room temperature and continuous stirring for 2 days. After completion of the reaction, the reaction was quenched with 10% sodium bicarbonate solution (50 ml). The aqueous layer was separated and extracted with dichloromethane (2 x 200 ml). The organic layers were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give the Step I product 2-fluoro-5-hydroxybenzonitrile (5.5 g, 61% yield). Thin layer chromatography (TLC) showed Rf = 0.4 (Expander: chloroform:methanol = 9:1). | [References]
[1] Patent: WO2008/152142, 2008, A1. Location in patent: Page/Page column 23 |
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