ChemicalBook--->CAS DataBase List--->1001345-80-7

1001345-80-7

1001345-80-7 Structure

1001345-80-7 Structure
IdentificationBack Directory
[Name]

2-Fluoro-5-methoxy-4-nitrobenzoic acid
[CAS]

1001345-80-7
[Synonyms]

2-Fluoro-5-methoxy-4-nitrobenzoic acid
Benzoic acid, 2-fluoro-5-methoxy-4-nitro-
[Molecular Formula]

C8H6FNO5
[MDL Number]

MFCD26395470
[MOL File]

1001345-80-7.mol
[Molecular Weight]

215.14
Chemical PropertiesBack Directory
[Boiling point ]

413.0±45.0 °C(Predicted)
[density ]

1.514±0.06 g/cm3(Predicted)
[pka]

2.25±0.13(Predicted)
[InChI]

InChI=1S/C8H6FNO5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
[InChIKey]

JXCYBTVSPGQRCM-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(OC)=C([N+]([O-])=O)C=C1F
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoro-5-methoxy-4-nitrobenzoic acid(1001345-80-7)1HNMR
2-Fluoro-5-methoxy-4-nitrobenzoic acid(1001345-80-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Fluoro-5-methoxy-4-nitrobenzoic acid can be synthesized using various methods such as the Friedel-Crafts acylation reaction, the Suzuki-Miyaura coupling reaction, and the Buchwald-Hartwig amination reaction.  The Friedel-Crafts acylation reaction involves the reaction of 2-fluoro-5-methoxy-4-nitrobenzoyl chloride with methanol in the presence of a catalyst such as aluminum chloride.  The Suzuki-Miyaura coupling reaction involves the reaction of 2-fluoro-5-methoxy-4-nitrophenylboronic acid with 4-chlorobenzoic acid in the presence of a palladium catalyst.  The Buchwald-Hartwig amination reaction involves the reaction of 2-fluoro-5-methoxy-4-nitroiodobenzene with potassium phthalimide in the presence of a palladium catalyst.
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